(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 2-methyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 2-methyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl 2-methyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-methyl-1,3-dioxo-5-isoindolecarboxylic acid (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl ester IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl 2-methyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-methyl-isoindoline-5-carboxylic acid (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl ester Formula: C19H15N3O6S MolecularWeight: 413.4039

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C

InChI

InChI=1S/C19H15N3O6S/c1-3-27-19(26)14-13(12(7-20)15(21)29-14)8-28-18(25)9-4-5-10-11(6-9)17(24)22(2)16(10)23/h4-6H,3,8,21H2,1-2H3