ethyl 5-[(4-ethoxyphenyl)carbamoylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[(4-ethoxyphenyl)carbamoylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 5-[(4-ethoxyphenyl)carbamoylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate CAS Name: 5-[[(4-ethoxyanilino)-oxomethyl]amino]-3-methyl-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-ethoxyphenyl)carbamoylamino]-3-methyl-4-thiocyanatothiophene-2-carboxylate Traditional Name: 3-methyl-5-(p-phenetylcarbamoylamino)-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C18H19N3O4S2 MolecularWeight: 405.49116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)SC#N

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)SC#N

InChI

InChI=1S/C18H19N3O4S2/c1-4-24-13-8-6-12(7-9-13)20-18(23)21-16-14(26-10-19)11(3)15(27-16)17(22)25-5-2/h6-9H,4-5H2,1-3H3,(H2,20,21,23)