methyl 5-(dimethylcarbamoyl)-3-isocyanato-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-(dimethylcarbamoyl)-3-isocyanato-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-3-isocyanato-benzothiophene-2-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-3-isocyanato-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-3-isocyanato-1-benzothiophene-2-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-3-isocyanato-benzothiophene-2-carboxylic acid methyl ester Formula: C14H12N2O4S MolecularWeight: 304.32108

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC2=C(C=C1)SC(=C2N=C=O)C(=O)OC

Isomeric SMILES

CN(C)C(=O)C1=CC2=C(C=C1)SC(=C2N=C=O)C(=O)OC

InChI

InChI=1S/C14H12N2O4S/c1-16(2)13(18)8-4-5-10-9(6-8)11(15-7-17)12(21-10)14(19)20-3/h4-6H,1-3H3