ethyl 5-methyl-4-phenyl-2-[(4-propan-2-yloxycarbonylphenyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-4-phenyl-2-[(4-propan-2-yloxycarbonylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-isopropoxycarbonylphenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[4-[oxo(propan-2-yloxy)methyl]anilino]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-phenyl-2-[(4-propan-2-yloxycarbonylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 2-[(4-isopropoxycarbonylphenyl)thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H26N2O4S2 MolecularWeight: 482.61494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC=C(C=C3)C(=O)OC(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC=C(C=C3)C(=O)OC(C)C

InChI

InChI=1S/C25H26N2O4S2/c1-5-30-24(29)21-20(17-9-7-6-8-10-17)16(4)33-22(21)27-25(32)26-19-13-11-18(12-14-19)23(28)31-15(2)3/h6-15H,5H2,1-4H3,(H2,26,27,32)