[(2S)-1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-propan-2-yl] 3-oxidanylbenzoate

Systemtic Name: [(2S)-1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-propan-2-yl] 3-oxidanylbenzoate Openeye Name: [(1S)-2-[[4-(4-ethylphenyl)thiazol-2-yl]amino]-1-methyl-2-oxo-ethyl] 3-hydroxybenzoate CAS Name: 3-hydroxybenzoic acid [(2S)-1-[[4-(4-ethylphenyl)-2-thiazolyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 3-hydroxybenzoate Traditional Name: 3-hydroxybenzoic acid [(1S)-2-[[4-(4-ethylphenyl)thiazol-2-yl]amino]-2-keto-1-methyl-ethyl] ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C(C)OC(=O)C3=CC(=CC=C3)O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)[C@H](C)OC(=O)C3=CC(=CC=C3)O

InChI

InChI=1S/C21H20N2O4S/c1-3-14-7-9-15(10-8-14)18-12-28-21(22-18)23-19(25)13(2)27-20(26)16-5-4-6-17(24)11-16/h4-13,24H,3H2,1-2H3,(H,22,23,25)/t13-/m0/s1