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

Systemtic Name: [2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-dithian-2-yl)benzoate Openeye Name: [2-(3-methoxyanilino)-2-oxo-ethyl] 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid [2-(3-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methoxyanilino)-2-oxoethyl] 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid [2-keto-2-(m-anisidino)ethyl] ester Formula: C20H21NO4S2 MolecularWeight: 403.51504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO4S2/c1-24-17-5-2-4-16(12-17)21-18(22)13-25-19(23)14-6-8-15(9-7-14)20-26-10-3-11-27-20/h2,4-9,12,20H,3,10-11,13H2,1H3,(H,21,22)