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

Systemtic Name: [2-[(4-methoxyphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 4-(1,3-dithian-2-yl)benzoate Openeye Name: [2-[(4-methoxyphenyl)carbamoylamino]-2-oxo-ethyl] 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid [2-[[(4-methoxyanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid [2-keto-2-[(4-methoxyphenyl)carbamoylamino]ethyl] ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)NC(=O)COC(=O)C2=CC=C(C=C2)C3SCCCS3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)NC(=O)COC(=O)C2=CC=C(C=C2)C3SCCCS3

InChI

InChI=1S/C21H22N2O5S2/c1-27-17-9-7-16(8-10-17)22-21(26)23-18(24)13-28-19(25)14-3-5-15(6-4-14)20-29-11-2-12-30-20/h3-10,20H,2,11-13H2,1H3,(H2,22,23,24,26)