ethyl 5-[(2-ethylsulfonylphenyl)carbonylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[(2-ethylsulfonylphenyl)carbonylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 5-[(2-ethylsulfonylbenzoyl)amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate CAS Name: 5-[[(2-ethylsulfonylphenyl)-oxomethyl]amino]-3-methyl-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-ethylsulfonylbenzoyl)amino]-3-methyl-4-thiocyanatothiophene-2-carboxylate Traditional Name: 5-[(2-esylbenzoyl)amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C18H18N2O5S3 MolecularWeight: 438.54092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=CC=C2S(=O)(=O)CC)SC#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=CC=C2S(=O)(=O)CC)SC#N)C

InChI

InChI=1S/C18H18N2O5S3/c1-4-25-18(22)15-11(3)14(26-10-19)17(27-15)20-16(21)12-8-6-7-9-13(12)28(23,24)5-2/h6-9H,4-5H2,1-3H3,(H,20,21)