ethanoic acid; methyl 2-[2-(6,7-dimethyl-3-oxidanylidene-2,4-dihydro-1H-quinoxalin-2-yl)ethanoylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: ethanoic acid; methyl 2-[2-(6,7-dimethyl-3-oxidanylidene-2,4-dihydro-1H-quinoxalin-2-yl)ethanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: acetic acid; methyl 2-[[2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: acetic acid; 2-[[2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-1-oxoethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: acetic acid; methyl 2-[[2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: acetic acid; 2-[[2-(3-keto-6,7-dimethyl-2,4-dihydro-1H-quinoxalin-2-yl)acetyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)NC(=O)C(N2)CC(=O)NC3=C(C=C(S3)C)C(=O)OC.CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1C)NC(=O)C(N2)CC(=O)NC3=C(C=C(S3)C)C(=O)OC.CC(=O)O

InChI

InChI=1S/C19H21N3O4S.C2H4O2/c1-9-5-13-14(6-10(9)2)21-17(24)15(20-13)8-16(23)22-18-12(19(25)26-4)7-11(3)27-18;1-2(3)4/h5-7,15,20H,8H2,1-4H3,(H,21,24)(H,22,23);1H3,(H,3,4)