methyl 3-chloranyl-6-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)carbothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)carbothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]benzothiophene-2-carboxylic acid methyl ester Formula: C21H19ClN2O2S2 MolecularWeight: 430.97076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CCC2)C(=S)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N(CCC2)C(=S)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl

InChI

InChI=1S/C21H19ClN2O2S2/c1-12-5-8-16-13(10-12)4-3-9-24(16)21(27)23-14-6-7-15-17(11-14)28-19(18(15)22)20(25)26-2/h5-8,10-11H,3-4,9H2,1-2H3,(H,23,27)