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

Systemtic Name: [2-(4-methoxyphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] methanesulfonate Openeye Name: [2-(4-methoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] methanesulfonate CAS Name: methanesulfonic acid [2-(4-methoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] ester IUPAC Name: [2-(4-methoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [4-keto-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] ester Formula: C17H17NO5S2 MolecularWeight: 379.45058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(=O)NC3=CC=CC=C3S2)OS(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C(=O)NC3=CC=CC=C3S2)OS(=O)(=O)C

InChI

InChI=1S/C17H17NO5S2/c1-22-12-9-7-11(8-10-12)16-15(23-25(2,20)21)17(19)18-13-5-3-4-6-14(13)24-16/h3-10,15-16H,1-2H3,(H,18,19)