ethyl (E)-4-[(3-chloranyl-4-methoxy-phenyl)carbamothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[(3-chloranyl-4-methoxy-phenyl)carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[(3-chloro-4-methoxy-phenyl)carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[(3-chloro-4-methoxyanilino)-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[(3-chloro-4-methoxyphenyl)carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[(3-chloro-4-methoxy-phenyl)thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C14H15ClN2O4S MolecularWeight: 342.7979

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NC1=CC(=C(C=C1)OC)Cl

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NC1=CC(=C(C=C1)OC)Cl

InChI

InChI=1S/C14H15ClN2O4S/c1-3-21-13(19)7-6-12(18)17-14(22)16-9-4-5-11(20-2)10(15)8-9/h4-8H,3H2,1-2H3,(H2,16,17,18,22)/b7-6+