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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O3S/c1-8(14)11(13(16)18-3)12(19)15-9-4-6-10(17-2)7-5-9/h4-7H,14H2,1-3H3,(H,15,19)/b11-8-