methyl 4-[(4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)carbonylamino]butanoate

Systemtic Name: methyl 4-[(4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)carbonylamino]butanoate Openeye Name: methyl 4-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)amino]butanoate CAS Name: 4-[[oxo-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)amino]butanoate Traditional Name: 4-[(4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)amino]butyric acid methyl ester Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)C1=CC2=C(C=C1)SCCC(=O)N2

Isomeric SMILES

COC(=O)CCCNC(=O)C1=CC2=C(C=C1)SCCC(=O)N2

InChI

InChI=1S/C15H18N2O4S/c1-21-14(19)3-2-7-16-15(20)10-4-5-12-11(9-10)17-13(18)6-8-22-12/h4-5,9H,2-3,6-8H2,1H3,(H,16,20)(H,17,18)