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

Systemtic Name: [(2S)-1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-propan-2-yl] 4-azanylbenzoate Openeye Name: [(1S)-2-[[4-(4-ethylphenyl)thiazol-2-yl]amino]-1-methyl-2-oxo-ethyl] 4-aminobenzoate CAS Name: 4-aminobenzoic 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] 4-aminobenzoate Traditional Name: 4-aminobenzoic acid [(1S)-2-[[4-(4-ethylphenyl)thiazol-2-yl]amino]-2-keto-1-methyl-ethyl] ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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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=C(C=C3)N

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3S/c1-3-14-4-6-15(7-5-14)18-12-28-21(23-18)24-19(25)13(2)27-20(26)16-8-10-17(22)11-9-16/h4-13H,3,22H2,1-2H3,(H,23,24,25)/t13-/m0/s1