[1-[(6aS,12aR)-2-iodanyl-4-methoxy-7,7-dimethyl-6,6a,12,12a-tetrahydrochromeno[4,3-b]quinolin-9-yl]-5-methyl-pyrazol-4-yl]-[1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]methanone

Systemtic Name: [1-[(6aS,12aR)-2-iodanyl-4-methoxy-7,7-dimethyl-6,6a,12,12a-tetrahydrochromeno[4,3-b]quinolin-9-yl]-5-methyl-pyrazol-4-yl]-[1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]methanone Openeye Name: [1-[(6aS,12aR)-2-iodo-4-methoxy-7,7-dimethyl-6,6a,12,12a-tetrahydrochromeno[4,3-b]quinolin-9-yl]-5-methyl-pyrazol-4-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone CAS Name: [1-[(6aS,12aR)-2-iodo-4-methoxy-7,7-dimethyl-6,6a,12,12a-tetrahydro[1]benzopyrano[4,3-b]quinolin-9-yl]-5-methyl-4-pyrazolyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone IUPAC Name: [1-[(6aS,12aR)-2-iodo-4-methoxy-7,7-dimethyl-6,6a,12,12a-tetrahydrochromeno[4,3-b]quinolin-9-yl]-5-methylpyrazol-4-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone Traditional Name: [1-[(6aS,12aR)-2-iodo-4-methoxy-7,7-dimethyl-6,6a,12,12a-tetrahydrochromeno[4,3-b]quinolin-9-yl]-5-methyl-pyrazol-4-yl]-(1,1-diketo-1,4-thiazinan-4-yl)methanone Formula: C28H31IN4O5S MolecularWeight: 662.53901

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC3=C(C=C2)NC4C(C3(C)C)COC5=C(C=C(C=C45)I)OC)C(=O)N6CCS(=O)(=O)CC6

Isomeric SMILES

CC1=C(C=NN1C2=CC3=C(C=C2)N[C@@H]4[C@H](C3(C)C)COC5=C(C=C(C=C45)I)OC)C(=O)N6CCS(=O)(=O)CC6

InChI

InChI=1S/C28H31IN4O5S/c1-16-20(27(34)32-7-9-39(35,36)10-8-32)14-30-33(16)18-5-6-23-21(13-18)28(2,3)22-15-38-26-19(25(22)31-23)11-17(29)12-24(26)37-4/h5-6,11-14,22,25,31H,7-10,15H2,1-4H3/t22-,25+/m1/s1