methyl 2-azanyl-4-[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-2,4-dimethyl-phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate

Systemtic Name: methyl 2-azanyl-4-[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-2,4-dimethyl-phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate Openeye Name: methyl 2-amino-4-[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-2,4-dimethyl-phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate CAS Name: 2-amino-4-[5-[(1,3-benzothiazol-2-ylthio)methyl]-2,4-dimethylphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl 2-amino-4-[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-2,4-dimethylphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate Traditional Name: 2-amino-4-[5-[(1,3-benzothiazol-2-ylthio)methyl]-2,4-dimethyl-phenyl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carboxylic acid methyl ester Formula: C29H30N2O4S2 MolecularWeight: 534.6895

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2C3=C(CC(CC3=O)(C)C)OC(=C2C(=O)OC)N)CSC4=NC5=CC=CC=C5S4)C

Isomeric SMILES

CC1=CC(=C(C=C1C2C3=C(CC(CC3=O)(C)C)OC(=C2C(=O)OC)N)CSC4=NC5=CC=CC=C5S4)C

InChI

InChI=1S/C29H30N2O4S2/c1-15-10-16(2)18(11-17(15)14-36-28-31-19-8-6-7-9-22(19)37-28)23-24-20(32)12-29(3,4)13-21(24)35-26(30)25(23)27(33)34-5/h6-11,23H,12-14,30H2,1-5H3