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

Systemtic Name: 2-(3-azanyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoate Openeye Name: 2-(3-amino-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetate CAS Name: 2-(3-amino-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetate IUPAC Name: 2-(3-amino-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetate Traditional Name: 2-(3-amino-4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)acetate Formula: C11H11N2O3S- MolecularWeight: 251.28164

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C2=CC=CC=C2S1)CC(=O)[O-])N

Isomeric SMILES

C1C(C(=O)N(C2=CC=CC=C2S1)CC(=O)[O-])N

InChI

InChI=1S/C11H12N2O3S/c12-7-6-17-9-4-2-1-3-8(9)13(11(7)16)5-10(14)15/h1-4,7H,5-6,12H2,(H,14,15)/p-1