8-[(2R)-2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-4-methyl-7-phenacyloxy-chromen-2-one

Systemtic Name: 8-[(2R)-2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-4-methyl-7-phenacyloxy-chromen-2-one Openeye Name: 8-[(2R)-2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-4-methyl-7-phenacyloxy-chromen-2-one CAS Name: 8-[(2R)-2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-4-methyl-7-phenacyloxy-1-benzopyran-2-one IUPAC Name: 8-[(2R)-2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-4-methyl-7-phenacyloxychromen-2-one Traditional Name: 8-[(2R)-2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-4-methyl-7-phenacyloxy-coumarin Formula: C35H29NO6S MolecularWeight: 591.67286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2C3=NC4=CC=CC=C4SC(C3)C5=CC(=C(C=C5)OC)OC)OCC(=O)C6=CC=CC=C6

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2C3=NC4=CC=CC=C4S[C@H](C3)C5=CC(=C(C=C5)OC)OC)OCC(=O)C6=CC=CC=C6

InChI

InChI=1S/C35H29NO6S/c1-21-17-33(38)42-35-24(21)14-16-29(41-20-27(37)22-9-5-4-6-10-22)34(35)26-19-32(43-31-12-8-7-11-25(31)36-26)23-13-15-28(39-2)30(18-23)40-3/h4-18,32H,19-20H2,1-3H3/t32-/m1/s1