methyl (E)-2-methyl-3-[(4-methyl-3-sulfanyl-phenyl)carbamoylamino]but-2-enoate

Systemtic Name: methyl (E)-2-methyl-3-[(4-methyl-3-sulfanyl-phenyl)carbamoylamino]but-2-enoate Openeye Name: methyl (E)-2-methyl-3-[(4-methyl-3-sulfanyl-phenyl)carbamoylamino]but-2-enoate CAS Name: (E)-3-[[(3-mercapto-4-methylanilino)-oxomethyl]amino]-2-methyl-2-butenoic acid methyl ester IUPAC Name: methyl (E)-2-methyl-3-[(4-methyl-3-sulfanylphenyl)carbamoylamino]but-2-enoate Traditional Name: (E)-3-[(3-mercapto-4-methyl-phenyl)carbamoylamino]-2-methyl-but-2-enoic acid methyl ester Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC(=C(C)C(=O)OC)C)S

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)N/C(=C(\C)/C(=O)OC)/C)S

InChI

InChI=1S/C14H18N2O3S/c1-8-5-6-11(7-12(8)20)16-14(18)15-10(3)9(2)13(17)19-4/h5-7,20H,1-4H3,(H2,15,16,18)/b10-9+