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

Systemtic Name: ethyl 2-(3-azanyl-4-oxidanylidene-2-propan-2-yl-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoate Openeye Name: ethyl 2-(3-amino-2-isopropyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetate CAS Name: 2-(3-amino-4-oxo-2-propan-2-yl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-(3-amino-4-oxo-2-propan-2-yl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetate Traditional Name: 2-(3-amino-2-isopropyl-4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)acetic acid ethyl ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC=CC=C2SC(C(C1=O)N)C(C)C

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2SC(C(C1=O)N)C(C)C

InChI

InChI=1S/C16H22N2O3S/c1-4-21-13(19)9-18-11-7-5-6-8-12(11)22-15(10(2)3)14(17)16(18)20/h5-8,10,14-15H,4,9,17H2,1-3H3