methyl 4-[[2-(3-phenylsulfanylprop-2-enoylamino)phenyl]amino]-2,5-dihydrothiophene-3-carboxylate

Systemtic Name: methyl 4-[[2-(3-phenylsulfanylprop-2-enoylamino)phenyl]amino]-2,5-dihydrothiophene-3-carboxylate Openeye Name: methyl 4-[2-(3-phenylsulfanylprop-2-enoylamino)anilino]-2,5-dihydrothiophene-3-carboxylate CAS Name: 4-[2-[[1-oxo-3-(phenylthio)prop-2-enyl]amino]anilino]-2,5-dihydrothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-(3-phenylsulfanylprop-2-enoylamino)anilino]-2,5-dihydrothiophene-3-carboxylate Traditional Name: 4-[2-[[3-(phenylthio)acryloyl]amino]anilino]-2,5-dihydrothiophene-3-carboxylic acid methyl ester Formula: C21H20N2O3S2 MolecularWeight: 412.5251

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(CSC1)NC2=CC=CC=C2NC(=O)C=CSC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(CSC1)NC2=CC=CC=C2NC(=O)C=CSC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O3S2/c1-26-21(25)16-13-27-14-19(16)22-17-9-5-6-10-18(17)23-20(24)11-12-28-15-7-3-2-4-8-15/h2-12,22H,13-14H2,1H3,(H,23,24)