methyl (E)-3-[(4-methoxyphenyl)carbamothioylamino]but-2-enoate

Systemtic Name: methyl (E)-3-[(4-methoxyphenyl)carbamothioylamino]but-2-enoate Openeye Name: methyl (E)-3-[(4-methoxyphenyl)carbamothioylamino]but-2-enoate CAS Name: (E)-3-[[(4-methoxyanilino)-sulfanylidenemethyl]amino]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-3-[(4-methoxyphenyl)carbamothioylamino]but-2-enoate Traditional Name: (E)-3-[(4-methoxyphenyl)thiocarbamoylamino]but-2-enoic acid methyl ester Formula: C13H16N2O3S MolecularWeight: 280.34274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OC)NC(=S)NC1=CC=C(C=C1)OC

Isomeric SMILES

C/C(=C\C(=O)OC)/NC(=S)NC1=CC=C(C=C1)OC

InChI

InChI=1S/C13H16N2O3S/c1-9(8-12(16)18-3)14-13(19)15-10-4-6-11(17-2)7-5-10/h4-8H,1-3H3,(H2,14,15,19)/b9-8+