[2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate

Systemtic Name: [2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [2-(2-chloro-4-nitro-anilino)-2-oxo-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid [2-(2-chloro-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4-nitroanilino)-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid [2-(2-chloro-4-nitro-anilino)-2-keto-ethyl] ester Formula: C16H11ClN4O5S2 MolecularWeight: 438.86534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)COC(=O)CSC2=NC=NC3=C2C=CS3

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)COC(=O)CSC2=NC=NC3=C2C=CS3

InChI

InChI=1S/C16H11ClN4O5S2/c17-11-5-9(21(24)25)1-2-12(11)20-13(22)6-26-14(23)7-28-16-10-3-4-27-15(10)18-8-19-16/h1-5,8H,6-7H2,(H,20,22)