ethyl 3-[4-(1-benzothiophen-2-ylcarbonyl)piperazin-1-yl]-6,7-dimethyl-quinoxaline-2-carboxylate

Systemtic Name: ethyl 3-[4-(1-benzothiophen-2-ylcarbonyl)piperazin-1-yl]-6,7-dimethyl-quinoxaline-2-carboxylate Openeye Name: ethyl 3-[4-(benzothiophene-2-carbonyl)piperazin-1-yl]-6,7-dimethyl-quinoxaline-2-carboxylate CAS Name: 3-[4-[1-benzothiophen-2-yl(oxo)methyl]-1-piperazinyl]-6,7-dimethyl-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]-6,7-dimethylquinoxaline-2-carboxylate Traditional Name: 3-[4-(benzothiophene-2-carbonyl)piperazino]-6,7-dimethyl-quinoxaline-2-carboxylic acid ethyl ester Formula: C26H26N4O3S MolecularWeight: 474.57464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=C(C=C(C(=C2)C)C)N=C1N3CCN(CC3)C(=O)C4=CC5=CC=CC=C5S4

Isomeric SMILES

CCOC(=O)C1=NC2=C(C=C(C(=C2)C)C)N=C1N3CCN(CC3)C(=O)C4=CC5=CC=CC=C5S4

InChI

InChI=1S/C26H26N4O3S/c1-4-33-26(32)23-24(28-20-14-17(3)16(2)13-19(20)27-23)29-9-11-30(12-10-29)25(31)22-15-18-7-5-6-8-21(18)34-22/h5-8,13-15H,4,9-12H2,1-3H3