[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(1,3-dithian-2-yl)benzoate

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(1,3-dithian-2-yl)benzoate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H24N2O4S2 MolecularWeight: 396.52416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)C2SCCCS2

Isomeric SMILES

CC(C)CNC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)C2SCCCS2

InChI

InChI=1S/C18H24N2O4S2/c1-12(2)10-19-18(23)20-15(21)11-24-16(22)13-4-6-14(7-5-13)17-25-8-3-9-26-17/h4-7,12,17H,3,8-11H2,1-2H3,(H2,19,20,21,23)