[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxidanylidene-propan-2-yl] 3-pyrrol-1-ylthiophene-2-carboxylate

Systemtic Name: [(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxidanylidene-propan-2-yl] 3-pyrrol-1-ylthiophene-2-carboxylate Openeye Name: [(1S)-2-(indan-5-ylamino)-1-methyl-2-oxo-ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate CAS Name: 3-(1-pyrrolyl)-2-thiophenecarboxylic acid [(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 3-pyrrol-1-ylthiophene-2-carboxylate Traditional Name: 3-pyrrol-1-ylthiophene-2-carboxylic acid [(1S)-2-(indan-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(CCC2)C=C1)OC(=O)C3=C(C=CS3)N4C=CC=C4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(CCC2)C=C1)OC(=O)C3=C(C=CS3)N4C=CC=C4

InChI

InChI=1S/C21H20N2O3S/c1-14(20(24)22-17-8-7-15-5-4-6-16(15)13-17)26-21(25)19-18(9-12-27-19)23-10-2-3-11-23/h2-3,7-14H,4-6H2,1H3,(H,22,24)/t14-/m0/s1