[1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxidanylidene-propan-2-yl] 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate

Systemtic Name: [1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxidanylidene-propan-2-yl] 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate Openeye Name: [2-(indan-5-ylamino)-1-methyl-2-oxo-ethyl] 2-(2-amino-2-oxo-ethyl)sulfanylbenzoate CAS Name: 2-[(2-amino-2-oxoethyl)thio]benzoic acid [1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 2-(2-amino-2-oxoethyl)sulfanylbenzoate Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]benzoic acid [2-(indan-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(CCC2)C=C1)OC(=O)C3=CC=CC=C3SCC(=O)N

Isomeric SMILES

CC(C(=O)NC1=CC2=C(CCC2)C=C1)OC(=O)C3=CC=CC=C3SCC(=O)N

InChI

InChI=1S/C21H22N2O4S/c1-13(20(25)23-16-10-9-14-5-4-6-15(14)11-16)27-21(26)17-7-2-3-8-18(17)28-12-19(22)24/h2-3,7-11,13H,4-6,12H2,1H3,(H2,22,24)(H,23,25)