methyl 2-(2-azanyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoate

Systemtic Name: methyl 2-(2-azanyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoate Openeye Name: methyl 2-(2-amino-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetate CAS Name: 2-(2-amino-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetic acid methyl ester IUPAC Name: methyl 2-(2-amino-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetate Traditional Name: 2-(2-amino-4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)acetic acid methyl ester Formula: C12H14N2O3S MolecularWeight: 266.31616

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)CC(SC2=CC=CC=C21)N

Isomeric SMILES

COC(=O)CN1C(=O)CC(SC2=CC=CC=C21)N

InChI

InChI=1S/C12H14N2O3S/c1-17-12(16)7-14-8-4-2-3-5-9(8)18-10(13)6-11(14)15/h2-5,10H,6-7,13H2,1H3