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

Systemtic Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: [2-(indan-5-ylamino)-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-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-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-(indan-5-ylamino)-2-keto-ethyl] ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)NC(=O)COC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)NC(=O)COC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C21H20N2O4S/c24-19-8-9-28-18-7-5-15(11-17(18)23-19)21(26)27-12-20(25)22-16-6-4-13-2-1-3-14(13)10-16/h4-7,10-11H,1-3,8-9,12H2,(H,22,25)(H,23,24)