phenethyl 4-[(2-methoxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[(2-methoxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[(2-methoxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(2-methoxyanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[(2-methoxyphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[(2-methoxyphenyl)thiocarbamoylamino]butyric acid phenethyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

COC1=CC=CC=C1NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O4S/c1-25-17-10-6-5-9-16(17)21-20(27)22-18(23)11-12-19(24)26-14-13-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H2,21,22,23,27)