propan-2-yl 2-[(7-chloranyl-8-methyl-2-thiophen-2-yl-quinolin-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[(7-chloranyl-8-methyl-2-thiophen-2-yl-quinolin-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 2-[[7-chloro-8-methyl-2-(2-thienyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(7-chloro-8-methyl-2-thiophen-2-yl-4-quinolinyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(7-chloro-8-methyl-2-thiophen-2-ylquinoline-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[7-chloro-8-methyl-2-(2-thienyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C27H25ClN2O3S2 MolecularWeight: 525.082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(C=C2C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC(C)C)C5=CC=CS5)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(C=C2C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC(C)C)C5=CC=CS5)Cl

InChI

InChI=1S/C27H25ClN2O3S2/c1-14(2)33-27(32)23-17-7-4-5-8-21(17)35-26(23)30-25(31)18-13-20(22-9-6-12-34-22)29-24-15(3)19(28)11-10-16(18)24/h6,9-14H,4-5,7-8H2,1-3H3,(H,30,31)