methyl 2-isocyanato-4-methyl-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-isocyanato-4-methyl-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-isocyanato-4-methyl-5-phenyl-thiophene-3-carboxylate CAS Name: 2-isocyanato-4-methyl-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-isocyanato-4-methyl-5-phenylthiophene-3-carboxylate Traditional Name: 2-isocyanato-4-methyl-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C14H11NO3S MolecularWeight: 273.30704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)N=C=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)N=C=O)C2=CC=CC=C2

InChI

InChI=1S/C14H11NO3S/c1-9-11(14(17)18-2)13(15-8-16)19-12(9)10-6-4-3-5-7-10/h3-7H,1-2H3