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

Systemtic Name: ethyl (E)-4-oxidanylidene-4-[(2-prop-2-enoxyphenyl)carbamothioylamino]but-2-enoate Openeye Name: ethyl (E)-4-[(2-allyloxyphenyl)carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-oxo-4-[[(2-prop-2-enoxyanilino)-sulfanylidenemethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-oxo-4-[(2-prop-2-enoxyphenyl)carbamothioylamino]but-2-enoate Traditional Name: (E)-4-[(2-allyloxyphenyl)thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NC1=CC=CC=C1OCC=C

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NC1=CC=CC=C1OCC=C

InChI

InChI=1S/C16H18N2O4S/c1-3-11-22-13-8-6-5-7-12(13)17-16(23)18-14(19)9-10-15(20)21-4-2/h3,5-10H,1,4,11H2,2H3,(H2,17,18,19,23)/b10-9+