diethyl 2-[(Z)-3-azanyl-2-[(3-methylphenyl)carbamoyl]-3-pentylsulfanyl-prop-2-enylidene]propanedioate

Systemtic Name: diethyl 2-[(Z)-3-azanyl-2-[(3-methylphenyl)carbamoyl]-3-pentylsulfanyl-prop-2-enylidene]propanedioate Openeye Name: diethyl 2-[(Z)-3-amino-2-(m-tolylcarbamoyl)-3-pentylsulfanyl-prop-2-enylidene]propanedioate CAS Name: 2-[(Z)-3-amino-2-[(3-methylanilino)-oxomethyl]-3-(pentylthio)prop-2-enylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(Z)-3-amino-2-[(3-methylphenyl)carbamoyl]-3-pentylsulfanylprop-2-enylidene]propanedioate Traditional Name: 2-[(Z)-3-amino-3-(amylthio)-2-(m-tolylcarbamoyl)prop-2-enylidene]malonic acid diethyl ester Formula: C23H32N2O5S MolecularWeight: 448.57558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC(=C(C=C(C(=O)OCC)C(=O)OCC)C(=O)NC1=CC=CC(=C1)C)N

Isomeric SMILES

CCCCCS/C(=C(/C=C(C(=O)OCC)C(=O)OCC)\C(=O)NC1=CC=CC(=C1)C)/N

InChI

InChI=1S/C23H32N2O5S/c1-5-8-9-13-31-20(24)18(21(26)25-17-12-10-11-16(4)14-17)15-19(22(27)29-6-2)23(28)30-7-3/h10-12,14-15H,5-9,13,24H2,1-4H3,(H,25,26)/b20-18-