tert-butyl 2-[3-[ethoxycarbonyl(methyl)amino]-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoate

Systemtic Name: tert-butyl 2-[3-[ethoxycarbonyl(methyl)amino]-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoate Openeye Name: tert-butyl 2-[3-[ethoxycarbonyl(methyl)amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetate CAS Name: 2-[3-[ethoxycarbonyl(methyl)amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[ethoxycarbonyl(methyl)amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetate Traditional Name: 2-[3-[carbethoxy(methyl)amino]-4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid tert-butyl ester Formula: C19H26N2O5S MolecularWeight: 394.48514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N(C)C1CSC2=CC=CC=C2N(C1=O)CC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)N(C)C1CSC2=CC=CC=C2N(C1=O)CC(=O)OC(C)(C)C

InChI

InChI=1S/C19H26N2O5S/c1-6-25-18(24)20(5)14-12-27-15-10-8-7-9-13(15)21(17(14)23)11-16(22)26-19(2,3)4/h7-10,14H,6,11-12H2,1-5H3