methyl 2-[(2-ethoxyphenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-ethoxyphenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(2-ethoxyphenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2-ethoxyanilino)-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-ethoxyphenyl)carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-(o-phenetylthiocarbamoylamino)-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C22H22N2O3S2 MolecularWeight: 426.55168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H22N2O3S2/c1-4-27-17-13-9-8-12-16(17)23-22(28)24-20-19(21(25)26-3)18(14(2)29-20)15-10-6-5-7-11-15/h5-13H,4H2,1-3H3,(H2,23,24,28)