ethyl 5-[(3,4-dimethoxyphenyl)carbonylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[(3,4-dimethoxyphenyl)carbonylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 5-[(3,4-dimethoxybenzoyl)amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate CAS Name: 5-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-3-methyl-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3,4-dimethoxybenzoyl)amino]-3-methyl-4-thiocyanatothiophene-2-carboxylate Traditional Name: 3-methyl-4-thiocyanato-5-(veratroylamino)thiophene-2-carboxylic acid ethyl ester Formula: C18H18N2O5S2 MolecularWeight: 406.47592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=C(C=C2)OC)OC)SC#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=C(C=C2)OC)OC)SC#N)C

InChI

InChI=1S/C18H18N2O5S2/c1-5-25-18(22)15-10(2)14(26-9-19)17(27-15)20-16(21)11-6-7-12(23-3)13(8-11)24-4/h6-8H,5H2,1-4H3,(H,20,21)