3-cyano-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide; 2-[(2-ethyl-1,3-thiazol-4-yl)amino]ethanoic acid

Systemtic Name: 3-cyano-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide; 2-[(2-ethyl-1,3-thiazol-4-yl)amino]ethanoic acid Openeye Name: 3-cyano-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide; 2-[(2-ethylthiazol-4-yl)amino]acetic acid CAS Name: 3-cyano-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide; 2-[(2-ethyl-4-thiazolyl)amino]acetic acid IUPAC Name: 3-cyano-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide; 2-[(2-ethyl-1,3-thiazol-4-yl)amino]acetic acid Traditional Name: 3-cyano-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide; 2-[(2-ethylthiazol-4-yl)amino]acetic acid Formula: C17H20N4O3S2 MolecularWeight: 392.4957

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CS1)NCC(=O)O.C1CCC2=C(C1)C(=C(S2)C(=O)N)C#N

Isomeric SMILES

CCC1=NC(=CS1)NCC(=O)O.C1CCC2=C(C1)C(=C(S2)C(=O)N)C#N

InChI

InChI=1S/C10H10N2OS.C7H10N2O2S/c11-5-7-6-3-1-2-4-8(6)14-9(7)10(12)13;1-2-6-9-5(4-12-6)8-3-7(10)11/h1-4H2,(H2,12,13);4,8H,2-3H2,1H3,(H,10,11)