methyl 1-cyclopropyl-8-methoxy-4-oxidanylidene-7-[4-(pyrimidin-4-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoline-3-carboxylate

Systemtic Name: methyl 1-cyclopropyl-8-methoxy-4-oxidanylidene-7-[4-(pyrimidin-4-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoline-3-carboxylate Openeye Name: methyl 1-cyclopropyl-8-methoxy-4-oxo-7-[4-(pyrimidine-4-carbonylamino)-4,5,6,7-tetrahydrobenzothiophen-2-yl]quinoline-3-carboxylate CAS Name: 1-cyclopropyl-8-methoxy-4-oxo-7-[4-[[oxo(4-pyrimidinyl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-cyclopropyl-8-methoxy-4-oxo-7-[4-(pyrimidine-4-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoline-3-carboxylate Traditional Name: 1-cyclopropyl-4-keto-8-methoxy-7-[4-(pyrimidine-4-carbonylamino)-4,5,6,7-tetrahydrobenzothiophen-2-yl]quinoline-3-carboxylic acid methyl ester Formula: C28H26N4O5S MolecularWeight: 530.59484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC2=C1N(C=C(C2=O)C(=O)OC)C3CC3)C4=CC5=C(S4)CCCC5NC(=O)C6=NC=NC=C6

Isomeric SMILES

COC1=C(C=CC2=C1N(C=C(C2=O)C(=O)OC)C3CC3)C4=CC5=C(S4)CCCC5NC(=O)C6=NC=NC=C6

InChI

InChI=1S/C28H26N4O5S/c1-36-26-16(8-9-17-24(26)32(15-6-7-15)13-19(25(17)33)28(35)37-2)23-12-18-20(4-3-5-22(18)38-23)31-27(34)21-10-11-29-14-30-21/h8-15,20H,3-7H2,1-2H3,(H,31,34)