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

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(1,3-dithian-2-yl)benzoate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C19H26N2O4S2 MolecularWeight: 410.55074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O4S2/c1-13(2)8-9-20-19(24)21-16(22)12-25-17(23)14-4-6-15(7-5-14)18-26-10-3-11-27-18/h4-7,13,18H,3,8-12H2,1-2H3,(H2,20,21,22,24)