[2-(4-methylphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]methyl methanesulfonate

Systemtic Name: [2-(4-methylphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]methyl methanesulfonate Openeye Name: [4-oxo-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]methyl methanesulfonate CAS Name: methanesulfonic acid [2-(4-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]methyl ester IUPAC Name: [2-(4-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [4-keto-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]methyl ester Formula: C18H19NO4S2 MolecularWeight: 377.47776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(C(=O)NC3=CC=CC=C3S2)COS(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2C(C(=O)NC3=CC=CC=C3S2)COS(=O)(=O)C

InChI

InChI=1S/C18H19NO4S2/c1-12-7-9-13(10-8-12)17-14(11-23-25(2,21)22)18(20)19-15-5-3-4-6-16(15)24-17/h3-10,14,17H,11H2,1-2H3,(H,19,20)