ethyl 2-[(4-methyl-2-methylsulfanyl-3-oxidanylidene-quinoxalin-6-yl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-methyl-2-methylsulfanyl-3-oxidanylidene-quinoxalin-6-yl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(4-methyl-2-methylsulfanyl-3-oxo-quinoxalin-6-yl)sulfonylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[4-methyl-2-(methylthio)-3-oxo-6-quinoxalinyl]sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-methyl-2-methylsulfanyl-3-oxoquinoxalin-6-yl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[3-keto-4-methyl-2-(methylthio)quinoxalin-6-yl]sulfonylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H23N3O5S3 MolecularWeight: 493.61942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NS(=O)(=O)C3=CC4=C(C=C3)N=C(C(=O)N4C)SC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NS(=O)(=O)C3=CC4=C(C=C3)N=C(C(=O)N4C)SC

InChI

InChI=1S/C21H23N3O5S3/c1-4-29-21(26)17-13-7-5-6-8-16(13)31-18(17)23-32(27,28)12-9-10-14-15(11-12)24(2)20(25)19(22-14)30-3/h9-11,23H,4-8H2,1-3H3