ethyl 4-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)ethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-(4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CN2C(=O)CCSC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CN2C(=O)CCSC3=CC=CC=C32

InChI

InChI=1S/C19H25N3O4S/c1-2-26-19(25)21-10-7-14(8-11-21)20-17(23)13-22-15-5-3-4-6-16(15)27-12-9-18(22)24/h3-6,14H,2,7-13H2,1H3,(H,20,23)