[2-(cyclopropylamino)-2-oxidanylidene-ethyl] 3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanoate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] 3-[5-methyl-2-(2-thienyl)-1H-indol-3-yl]propanoate CAS Name: 3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanoic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] 3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanoate Traditional Name: 3-[5-methyl-2-(2-thienyl)-1H-indol-3-yl]propionic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2CCC(=O)OCC(=O)NC3CC3)C4=CC=CS4

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2CCC(=O)OCC(=O)NC3CC3)C4=CC=CS4

InChI

InChI=1S/C21H22N2O3S/c1-13-4-8-17-16(11-13)15(21(23-17)18-3-2-10-27-18)7-9-20(25)26-12-19(24)22-14-5-6-14/h2-4,8,10-11,14,23H,5-7,9,12H2,1H3,(H,22,24)