methyl 2-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylate

Systemtic Name: methyl 2-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: methyl 2-[2-(isopentylamino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate CAS Name: 2-[[2-(3-methylbutylamino)-2-oxoethyl]thio]-4-oxo-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(3-methylbutylamino)-2-oxoethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 2-[[2-(isoamylamino)-2-keto-ethyl]thio]-4-keto-1H-quinoline-3-carboxylic acid methyl ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CSC1=C(C(=O)C2=CC=CC=C2N1)C(=O)OC

Isomeric SMILES

CC(C)CCNC(=O)CSC1=C(C(=O)C2=CC=CC=C2N1)C(=O)OC

InChI

InChI=1S/C18H22N2O4S/c1-11(2)8-9-19-14(21)10-25-17-15(18(23)24-3)16(22)12-6-4-5-7-13(12)20-17/h4-7,11H,8-10H2,1-3H3,(H,19,21)(H,20,22)