[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxo-ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-[[(2,3-dimethylanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-[(2,3-dimethylphenyl)carbamoylamino]-2-keto-ethyl] ester Formula: C21H22N2O4S2 MolecularWeight: 430.54038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)NC(=O)COC(=O)C2=CC=C(C=C2)C3SCCS3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)NC(=O)COC(=O)C2=CC=C(C=C2)C3SCCS3)C

InChI

InChI=1S/C21H22N2O4S2/c1-13-4-3-5-17(14(13)2)22-21(26)23-18(24)12-27-19(25)15-6-8-16(9-7-15)20-28-10-11-29-20/h3-9,20H,10-12H2,1-2H3,(H2,22,23,24,26)