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

Systemtic Name: methyl 2-[2-[(4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)carbonylamino]-1,3-thiazol-4-yl]ethanoate Openeye Name: methyl 2-[2-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)amino]thiazol-4-yl]acetate CAS Name: 2-[2-[[oxo-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)methyl]amino]-4-thiazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)amino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[(4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)amino]thiazol-4-yl]acetic acid methyl ester Formula: C16H15N3O4S2 MolecularWeight: 377.438

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CSC(=N1)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

COC(=O)CC1=CSC(=N1)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C16H15N3O4S2/c1-23-14(21)7-10-8-25-16(17-10)19-15(22)9-2-3-12-11(6-9)18-13(20)4-5-24-12/h2-3,6,8H,4-5,7H2,1H3,(H,18,20)(H,17,19,22)