ethyl 2-[2-[2,3-dihydro-1H-inden-1-yl(prop-2-ynyl)amino]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[2,3-dihydro-1H-inden-1-yl(prop-2-ynyl)amino]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[indan-1-yl(prop-2-ynyl)amino]acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-[2,3-dihydro-1H-inden-1-yl(prop-2-ynyl)amino]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[2,3-dihydro-1H-inden-1-yl(prop-2-ynyl)amino]acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[indan-1-yl(propargyl)amino]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1)NC(=O)CN(CC#C)C2CCC3=CC=CC=C23

Isomeric SMILES

CCOC(=O)C1=C(SC=C1)NC(=O)CN(CC#C)C2CCC3=CC=CC=C23

InChI

InChI=1S/C21H22N2O3S/c1-3-12-23(18-10-9-15-7-5-6-8-16(15)18)14-19(24)22-20-17(11-13-27-20)21(25)26-4-2/h1,5-8,11,13,18H,4,9-10,12,14H2,2H3,(H,22,24)