[1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: [1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: [2-[(3-carbamoyl-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid [1-[(3-carbamoyl-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-[(3-carbamoyl-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C17H15N5O4S MolecularWeight: 385.3971

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C(=O)N)OC(=O)C2=CC=C(C=C2)N3C=NC=N3

Isomeric SMILES

CC(C(=O)NC1=C(C=CS1)C(=O)N)OC(=O)C2=CC=C(C=C2)N3C=NC=N3

InChI

InChI=1S/C17H15N5O4S/c1-10(15(24)21-16-13(14(18)23)6-7-27-16)26-17(25)11-2-4-12(5-3-11)22-9-19-8-20-22/h2-10H,1H3,(H2,18,23)(H,21,24)