4-[[5-(2-azanyl-2-oxidanylidene-ethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-3-methyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: 4-[[5-(2-azanyl-2-oxidanylidene-ethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-3-methyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: 4-[[5-(2-amino-2-oxo-ethyl)-4-methyl-thiazol-2-yl]sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[2,3-b]pyridine-2-carboxylate CAS Name: 4-[[[5-(2-amino-2-oxoethyl)-4-methyl-2-thiazolyl]thio]methyl]-3-methyl-6-oxo-7H-thieno[2,3-b]pyridine-2-carboxylate IUPAC Name: 4-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 4-[[[5-(2-amino-2-keto-ethyl)-4-methyl-thiazol-2-yl]thio]methyl]-6-keto-3-methyl-7H-thieno[2,3-b]pyridine-2-carboxylate Formula: C16H14N3O4S3- MolecularWeight: 408.49506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=CC(=O)N2)CSC3=NC(=C(S3)CC(=O)N)C)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C(=CC(=O)N2)CSC3=NC(=C(S3)CC(=O)N)C)C(=O)[O-]

InChI

InChI=1S/C16H15N3O4S3/c1-6-12-8(3-11(21)19-14(12)26-13(6)15(22)23)5-24-16-18-7(2)9(25-16)4-10(17)20/h3H,4-5H2,1-2H3,(H2,17,20)(H,19,21)(H,22,23)/p-1