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

Systemtic Name: ethyl 4-ethyl-2-isocyanato-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 4-ethyl-2-isocyanato-5-phenyl-thiophene-3-carboxylate CAS Name: 4-ethyl-2-isocyanato-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-ethyl-2-isocyanato-5-phenylthiophene-3-carboxylate Traditional Name: 4-ethyl-2-isocyanato-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)N=C=O)C2=CC=CC=C2

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)N=C=O)C2=CC=CC=C2

InChI

InChI=1S/C16H15NO3S/c1-3-12-13(16(19)20-4-2)15(17-10-18)21-14(12)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3