methyl 6-methyl-2-[2-(3-oxidanylidene-2,4-dihydro-1H-quinoxalin-2-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 6-methyl-2-[2-(3-oxidanylidene-2,4-dihydro-1H-quinoxalin-2-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-methyl-2-[[2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[1-oxo-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-2-[[2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(3-keto-2,4-dihydro-1H-quinoxalin-2-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CC3C(=O)NC4=CC=CC=C4N3

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CC3C(=O)NC4=CC=CC=C4N3

InChI

InChI=1S/C21H23N3O4S/c1-11-7-8-12-16(9-11)29-20(18(12)21(27)28-2)24-17(25)10-15-19(26)23-14-6-4-3-5-13(14)22-15/h3-6,11,15,22H,7-10H2,1-2H3,(H,23,26)(H,24,25)