methyl 4-chloranyl-3-[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]ethanoylamino]benzoate Openeye Name: methyl 4-chloro-3-[[2-[2-(4-ethoxyphenyl)thiazol-4-yl]acetyl]amino]benzoate CAS Name: 4-chloro-3-[[2-[2-(4-ethoxyphenyl)-4-thiazolyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate Traditional Name: 4-chloro-3-[[2-(2-p-phenetylthiazol-4-yl)acetyl]amino]benzoic acid methyl ester Formula: C21H19ClN2O4S MolecularWeight: 430.90456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=CS2)CC(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=CS2)CC(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl

InChI

InChI=1S/C21H19ClN2O4S/c1-3-28-16-7-4-13(5-8-16)20-23-15(12-29-20)11-19(25)24-18-10-14(21(26)27-2)6-9-17(18)22/h4-10,12H,3,11H2,1-2H3,(H,24,25)