[1-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl] 2-methylquinoline-4-carboxylate

Systemtic Name: [1-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl] 2-methylquinoline-4-carboxylate Openeye Name: 1-[(3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [1-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid 1-[(3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl ester Formula: C26H28N2O5S MolecularWeight: 480.57592

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC)OC(=O)C3=CC(=NC4=CC=CC=C43)C

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC)OC(=O)C3=CC(=NC4=CC=CC=C43)C

InChI

InChI=1S/C26H28N2O5S/c1-4-20(33-25(30)18-14-15(3)27-19-12-8-6-10-16(18)19)23(29)28-24-22(26(31)32-5-2)17-11-7-9-13-21(17)34-24/h6,8,10,12,14,20H,4-5,7,9,11,13H2,1-3H3,(H,28,29)