N-[[5-(2-azanyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-4-oxidanylidene-pentanethioamide; (E)-but-2-enedioic acid

Systemtic Name: N-[[5-(2-azanyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-4-oxidanylidene-pentanethioamide; (E)-but-2-enedioic acid Openeye Name: N-[[5-(2-aminothiazol-4-yl)-2-thienyl]methyl]-4-oxo-pentanethioamide; fumaric acid CAS Name: N-[[5-(2-amino-4-thiazolyl)-2-thiophenyl]methyl]-4-oxopentanethioamide; (E)-2-butenedioic acid IUPAC Name: N-[[5-(2-amino-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-4-oxopentanethioamide; (E)-but-2-enedioic acid Traditional Name: N-[[5-(2-aminothiazol-4-yl)-2-thienyl]methyl]-4-keto-thiovaleramide; fumaric acid Formula: C17H19N3O5S3 MolecularWeight: 441.54486

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=S)NCC1=CC=C(S1)C2=CSC(=N2)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)CCC(=S)NCC1=CC=C(S1)C2=CSC(=N2)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H15N3OS3.C4H4O4/c1-8(17)2-5-12(18)15-6-9-3-4-11(20-9)10-7-19-13(14)16-10;5-3(6)1-2-4(7)8/h3-4,7H,2,5-6H2,1H3,(H2,14,16)(H,15,18);1-2H,(H,5,6)(H,7,8)/b;2-1+