methyl 2-[2-(2-azanyl-4-oxidanylidene-1,3-thiazol-5-yl)ethanoylamino]-5-chloranyl-benzoate

Systemtic Name: methyl 2-[2-(2-azanyl-4-oxidanylidene-1,3-thiazol-5-yl)ethanoylamino]-5-chloranyl-benzoate Openeye Name: methyl 2-[[2-(2-amino-4-oxo-thiazol-5-yl)acetyl]amino]-5-chloro-benzoate CAS Name: 2-[[2-(2-amino-4-oxo-5-thiazolyl)-1-oxoethyl]amino]-5-chlorobenzoic acid methyl ester IUPAC Name: methyl 2-[[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]amino]-5-chlorobenzoate Traditional Name: 2-[[2-(2-amino-4-keto-2-thiazolin-5-yl)acetyl]amino]-5-chloro-benzoic acid methyl ester Formula: C13H12ClN3O4S MolecularWeight: 341.77008

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)Cl)NC(=O)CC2C(=O)N=C(S2)N

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)Cl)NC(=O)CC2C(=O)N=C(S2)N

InChI

InChI=1S/C13H12ClN3O4S/c1-21-12(20)7-4-6(14)2-3-8(7)16-10(18)5-9-11(19)17-13(15)22-9/h2-4,9H,5H2,1H3,(H,16,18)(H2,15,17,19)