[2-[(3-cyano-5-ethoxycarbonyl-4-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 1,3-benzoxazole-4-carboxylate

Systemtic Name: [2-[(3-cyano-5-ethoxycarbonyl-4-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 1,3-benzoxazole-4-carboxylate Openeye Name: [2-[(3-cyano-5-ethoxycarbonyl-4-methyl-2-thienyl)amino]-2-oxo-ethyl] 1,3-benzoxazole-4-carboxylate CAS Name: 1,3-benzoxazole-4-carboxylic acid [2-[(3-cyano-5-ethoxycarbonyl-4-methyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-5-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-2-oxoethyl] 1,3-benzoxazole-4-carboxylate Traditional Name: 1,3-benzoxazole-4-carboxylic acid [2-[(5-carbethoxy-3-cyano-4-methyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C19H15N3O6S MolecularWeight: 413.4039

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)COC(=O)C2=C3C(=CC=C2)OC=N3)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)COC(=O)C2=C3C(=CC=C2)OC=N3)C#N)C

InChI

InChI=1S/C19H15N3O6S/c1-3-26-19(25)16-10(2)12(7-20)17(29-16)22-14(23)8-27-18(24)11-5-4-6-13-15(11)21-9-28-13/h4-6,9H,3,8H2,1-2H3,(H,22,23)