methyl 2-(4-methoxyphenyl)-4-methyl-2,5-dihydro-1,5-benzothiazepine-3-carboxylate

Systemtic Name: methyl 2-(4-methoxyphenyl)-4-methyl-2,5-dihydro-1,5-benzothiazepine-3-carboxylate Openeye Name: methyl 2-(4-methoxyphenyl)-4-methyl-2,5-dihydro-1,5-benzothiazepine-3-carboxylate CAS Name: 2-(4-methoxyphenyl)-4-methyl-2,5-dihydro-1,5-benzothiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-methoxyphenyl)-4-methyl-2,5-dihydro-1,5-benzothiazepine-3-carboxylate Traditional Name: 2-(4-methoxyphenyl)-4-methyl-2,5-dihydro-1,5-benzothiazepine-3-carboxylic acid methyl ester Formula: C19H19NO3S MolecularWeight: 341.42406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(SC2=CC=CC=C2N1)C3=CC=C(C=C3)OC)C(=O)OC

Isomeric SMILES

CC1=C(C(SC2=CC=CC=C2N1)C3=CC=C(C=C3)OC)C(=O)OC

InChI

InChI=1S/C19H19NO3S/c1-12-17(19(21)23-3)18(13-8-10-14(22-2)11-9-13)24-16-7-5-4-6-15(16)20-12/h4-11,18,20H,1-3H3