methyl 4-[[4-(2-azanyl-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[4-(2-azanyl-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]carbamoyl]benzoate Openeye Name: methyl 4-[[4-(2-amino-2-oxo-ethyl)thiazol-2-yl]carbamoyl]benzoate CAS Name: 4-[[[4-(2-amino-2-oxoethyl)-2-thiazolyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]benzoate Traditional Name: 4-[[4-(2-amino-2-keto-ethyl)thiazol-2-yl]carbamoyl]benzoic acid methyl ester Formula: C14H13N3O4S MolecularWeight: 319.33572

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC2=NC(=CS2)CC(=O)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC2=NC(=CS2)CC(=O)N

InChI

InChI=1S/C14H13N3O4S/c1-21-13(20)9-4-2-8(3-5-9)12(19)17-14-16-10(7-22-14)6-11(15)18/h2-5,7H,6H2,1H3,(H2,15,18)(H,16,17,19)