methyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-6-chloranyl-4-oxidanylidene-1H-quinoline-3-carboxylate

Systemtic Name: methyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-6-chloranyl-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: methyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-6-chloro-4-oxo-1H-quinoline-3-carboxylate CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-6-chloro-4-oxo-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-6-chloro-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]-6-chloro-4-keto-1H-quinoline-3-carboxylic acid methyl ester Formula: C20H15ClN2O6S MolecularWeight: 446.8609

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC2=C(C1=O)C=C(C=C2)Cl)SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=C(NC2=C(C1=O)C=C(C=C2)Cl)SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H15ClN2O6S/c1-27-20(26)17-18(25)12-6-10(21)2-4-13(12)23-19(17)30-8-16(24)22-11-3-5-14-15(7-11)29-9-28-14/h2-7H,8-9H2,1H3,(H,22,24)(H,23,25)