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

Systemtic Name: methyl 4-[2-[(5-azanyl-4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(5-amino-4-phenyl-thiazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(5-amino-4-phenyl-2-thiazolyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(5-amino-4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5-amino-4-phenyl-thiazol-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C19H17N3O3S2 MolecularWeight: 399.48658

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=C(S2)N)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=C(S2)N)C3=CC=CC=C3

InChI

InChI=1S/C19H17N3O3S2/c1-25-18(24)13-7-9-14(10-8-13)21-15(23)11-26-19-22-16(17(20)27-19)12-5-3-2-4-6-12/h2-10H,11,20H2,1H3,(H,21,23)