ethyl 2-[(3-methylquinoxalin-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(3-methylquinoxalin-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(3-methylquinoxalin-2-yl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(3-methyl-2-quinoxalinyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-methylquinoxalin-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3-methylquinoxalin-2-yl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC3=NC4=CC=CC=C4N=C3C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC3=NC4=CC=CC=C4N=C3C

InChI

InChI=1S/C20H21N3O2S/c1-3-25-20(24)17-13-8-4-7-11-16(13)26-19(17)23-18-12(2)21-14-9-5-6-10-15(14)22-18/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,22,23)