2-(3-azanyl-8-chloranyl-4-oxidanylidene-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoate

Systemtic Name: 2-(3-azanyl-8-chloranyl-4-oxidanylidene-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoate Openeye Name: 2-(3-amino-8-chloro-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetate CAS Name: 2-(3-amino-8-chloro-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetate IUPAC Name: 2-(3-amino-8-chloro-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetate Traditional Name: 2-(3-amino-8-chloro-4-keto-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetate Formula: C17H14ClN2O3S- MolecularWeight: 361.82266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(C(=O)N(C3=C(S2)C=C(C=C3)Cl)CC(=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)C2C(C(=O)N(C3=C(S2)C=C(C=C3)Cl)CC(=O)[O-])N

InChI

InChI=1S/C17H15ClN2O3S/c18-11-6-7-12-13(8-11)24-16(10-4-2-1-3-5-10)15(19)17(23)20(12)9-14(21)22/h1-8,15-16H,9,19H2,(H,21,22)/p-1