[2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Systemtic Name: [2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: [2-(cyclohexylcarbamoylamino)-2-oxo-ethyl] 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate CAS Name: 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid [2-[[(cyclohexylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Traditional Name: 4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid [2-(cyclohexylcarbamoylamino)-2-keto-ethyl] ester Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NC(=O)COC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

C1CCC(CC1)NC(=O)NC(=O)COC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C19H23N3O5S/c23-16-8-9-28-15-7-6-12(10-14(15)21-16)18(25)27-11-17(24)22-19(26)20-13-4-2-1-3-5-13/h6-7,10,13H,1-5,8-9,11H2,(H,21,23)(H2,20,22,24,26)