ethyl (E)-4-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[(4-butoxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[(4-butoxy-3-methoxyphenyl)methylcarbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[(4-butoxy-3-methoxy-benzyl)thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C19H26N2O5S MolecularWeight: 394.48514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)C=CC(=O)OCC)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)/C=C/C(=O)OCC)OC

InChI

InChI=1S/C19H26N2O5S/c1-4-6-11-26-15-8-7-14(12-16(15)24-3)13-20-19(27)21-17(22)9-10-18(23)25-5-2/h7-10,12H,4-6,11,13H2,1-3H3,(H2,20,21,22,27)/b10-9+