[2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Openeye Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxo-ethyl] 2-(isopentylamino)thiazole-4-carboxylate CAS Name: 2-(3-methylbutylamino)-4-thiazolecarboxylic acid [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(isoamylamino)thiazole-4-carboxylic acid [2-[2-(1H-indol-3-yl)ethylamino]-2-keto-ethyl] ester Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC(=CS1)C(=O)OCC(=O)NCCC2=CNC3=CC=CC=C32

Isomeric SMILES

CC(C)CCNC1=NC(=CS1)C(=O)OCC(=O)NCCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C21H26N4O3S/c1-14(2)7-9-23-21-25-18(13-29-21)20(27)28-12-19(26)22-10-8-15-11-24-17-6-4-3-5-16(15)17/h3-6,11,13-14,24H,7-10,12H2,1-2H3,(H,22,26)(H,23,25)