[(2S)-1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: [(2S)-1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Openeye Name: [(1S)-2-(4-ethoxyanilino)-1-methyl-2-oxo-ethyl] 2-(isopentylamino)thiazole-4-carboxylate CAS Name: 2-(3-methylbutylamino)-4-thiazolecarboxylic acid [(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(isoamylamino)thiazole-4-carboxylic acid [(1S)-2-keto-1-methyl-2-(p-phenetidino)ethyl] ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CSC(=N2)NCCC(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)C2=CSC(=N2)NCCC(C)C

InChI

InChI=1S/C20H27N3O4S/c1-5-26-16-8-6-15(7-9-16)22-18(24)14(4)27-19(25)17-12-28-20(23-17)21-11-10-13(2)3/h6-9,12-14H,5,10-11H2,1-4H3,(H,21,23)(H,22,24)/t14-/m0/s1