2-(5-azanyl-8-cyano-6-ethoxycarbonyl-3-oxidanylidene-7-thiophen-2-yl-7H-[1,3]thiazolo[3,2-a]pyridin-2-yl)ethanoic acid

Systemtic Name: 2-(5-azanyl-8-cyano-6-ethoxycarbonyl-3-oxidanylidene-7-thiophen-2-yl-7H-[1,3]thiazolo[3,2-a]pyridin-2-yl)ethanoic acid Openeye Name: 2-[5-amino-8-cyano-6-ethoxycarbonyl-3-oxo-7-(2-thienyl)-7H-thiazolo[3,2-a]pyridin-2-yl]acetic acid CAS Name: 2-(5-amino-8-cyano-6-ethoxycarbonyl-3-oxo-7-thiophen-2-yl-7H-thiazolo[3,2-a]pyridin-2-yl)acetic acid IUPAC Name: 2-(5-amino-8-cyano-6-ethoxycarbonyl-3-oxo-7-thiophen-2-yl-7H-[1,3]thiazolo[3,2-a]pyridin-2-yl)acetic acid Traditional Name: 2-[5-amino-6-carbethoxy-8-cyano-3-keto-7-(2-thienyl)-7H-thiazolo[3,2-a]pyridin-2-yl]acetic acid Formula: C17H15N3O5S2 MolecularWeight: 405.4481

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N2C(=O)C(SC2=C(C1C3=CC=CS3)C#N)CC(=O)O)N

Isomeric SMILES

CCOC(=O)C1=C(N2C(=O)C(SC2=C(C1C3=CC=CS3)C#N)CC(=O)O)N

InChI

InChI=1S/C17H15N3O5S2/c1-2-25-17(24)13-12(9-4-3-5-26-9)8(7-18)16-20(14(13)19)15(23)10(27-16)6-11(21)22/h3-5,10,12H,2,6,19H2,1H3,(H,21,22)