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

Systemtic Name: ethyl (E)-4-oxidanylidene-4-[(2-phenylmethoxyphenyl)carbamothioylamino]but-2-enoate Openeye Name: ethyl (E)-4-[(2-benzyloxyphenyl)carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-oxo-4-[[(2-phenylmethoxyanilino)-sulfanylidenemethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-oxo-4-[(2-phenylmethoxyphenyl)carbamothioylamino]but-2-enoate Traditional Name: (E)-4-[(2-benzoxyphenyl)thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NC1=CC=CC=C1OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NC1=CC=CC=C1OCC2=CC=CC=C2

InChI

InChI=1S/C20H20N2O4S/c1-2-25-19(24)13-12-18(23)22-20(27)21-16-10-6-7-11-17(16)26-14-15-8-4-3-5-9-15/h3-13H,2,14H2,1H3,(H2,21,22,23,27)/b13-12+