ethyl (E)-4-[(2-chlorophenyl)methylcarbamothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[(2-chlorophenyl)methylcarbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[(2-chlorophenyl)methylcarbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[(2-chlorophenyl)methylamino]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[(2-chlorophenyl)methylcarbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[(2-chlorobenzyl)thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C14H15ClN2O3S MolecularWeight: 326.7985

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NCC1=CC=CC=C1Cl

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NCC1=CC=CC=C1Cl

InChI

InChI=1S/C14H15ClN2O3S/c1-2-20-13(19)8-7-12(18)17-14(21)16-9-10-5-3-4-6-11(10)15/h3-8H,2,9H2,1H3,(H2,16,17,18,21)/b8-7+