ethyl 1-cyclopropyl-8-methoxy-7-[(4Z)-4-(4-methylpiperazin-1-yl)imino-6,7-dihydro-5H-1-benzothiophen-2-yl]-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 1-cyclopropyl-8-methoxy-7-[(4Z)-4-(4-methylpiperazin-1-yl)imino-6,7-dihydro-5H-1-benzothiophen-2-yl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-cyclopropyl-8-methoxy-7-[(4Z)-4-(4-methylpiperazin-1-yl)imino-6,7-dihydro-5H-benzothiophen-2-yl]-4-oxo-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-8-methoxy-7-[(4Z)-4-[(4-methyl-1-piperazinyl)imino]-6,7-dihydro-5H-1-benzothiophen-2-yl]-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyclopropyl-8-methoxy-7-[(4Z)-4-(4-methylpiperazin-1-yl)imino-6,7-dihydro-5H-1-benzothiophen-2-yl]-4-oxoquinoline-3-carboxylate Traditional Name: 1-cyclopropyl-4-keto-8-methoxy-7-[(4Z)-4-(4-methylpiperazino)imino-6,7-dihydro-5H-benzothiophen-2-yl]quinoline-3-carboxylic acid ethyl ester Formula: C29H34N4O4S MolecularWeight: 534.66966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C1=O)C=CC(=C2OC)C3=CC4=C(S3)CCCC4=NN5CCN(CC5)C)C6CC6

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C1=O)C=CC(=C2OC)C3=CC\4=C(S3)CCC/C4=N/N5CCN(CC5)C)C6CC6

InChI

InChI=1S/C29H34N4O4S/c1-4-37-29(35)22-17-33(18-8-9-18)26-20(27(22)34)11-10-19(28(26)36-3)25-16-21-23(6-5-7-24(21)38-25)30-32-14-12-31(2)13-15-32/h10-11,16-18H,4-9,12-15H2,1-3H3/b30-23-