2,3-bis(oxidanyl)butanedioic acid; ethyl 2-azanyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: 2,3-bis(oxidanyl)butanedioic acid; ethyl 2-azanyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: 2,3-dihydroxybutanedioic acid; ethyl 2-amino-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester; 2,3-dihydroxybutanedioic acid IUPAC Name: 2,3-dihydroxybutanedioic acid; ethyl 2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-amino-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester; tartaric acid Formula: C28H40N2O10S2 MolecularWeight: 628.7546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)N.CCOC(=O)C1=C(SC2=C1CCC(C2)C)N.C(C(C(=O)O)O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)N.CCOC(=O)C1=C(SC2=C1CCC(C2)C)N.C(C(C(=O)O)O)(C(=O)O)O

InChI

InChI=1S/2C12H17NO2S.C4H6O6/c2*1-3-15-12(14)10-8-5-4-7(2)6-9(8)16-11(10)13;5-1(3(7)8)2(6)4(9)10/h2*7H,3-6,13H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)