ethyl (E)-4-[(4-heptoxyphenyl)carbamothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[(4-heptoxyphenyl)carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[(4-heptoxyphenyl)carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[(4-heptoxyanilino)-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[(4-heptoxyphenyl)carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[(4-heptoxyphenyl)thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C20H28N2O4S MolecularWeight: 392.51232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C=CC(=O)OCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C(=O)OCC

InChI

InChI=1S/C20H28N2O4S/c1-3-5-6-7-8-15-26-17-11-9-16(10-12-17)21-20(27)22-18(23)13-14-19(24)25-4-2/h9-14H,3-8,15H2,1-2H3,(H2,21,22,23,27)/b14-13+