methyl 5-aminocarbonyl-3-isocyanato-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-aminocarbonyl-3-isocyanato-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-carbamoyl-3-isocyanato-benzothiophene-2-carboxylate CAS Name: 5-carbamoyl-3-isocyanato-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-carbamoyl-3-isocyanato-1-benzothiophene-2-carboxylate Traditional Name: 5-carbamoyl-3-isocyanato-benzothiophene-2-carboxylic acid methyl ester Formula: C12H8N2O4S MolecularWeight: 276.26792

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=CC(=C2)C(=O)N)N=C=O

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=CC(=C2)C(=O)N)N=C=O

InChI

InChI=1S/C12H8N2O4S/c1-18-12(17)10-9(14-5-15)7-4-6(11(13)16)2-3-8(7)19-10/h2-4H,1H3,(H2,13,16)