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

Systemtic Name: ethyl 5-[(4-tert-butylphenyl)carbonylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 5-[(4-tert-butylbenzoyl)amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate CAS Name: 5-[[(4-tert-butylphenyl)-oxomethyl]amino]-3-methyl-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-tert-butylbenzoyl)amino]-3-methyl-4-thiocyanatothiophene-2-carboxylate Traditional Name: 5-[(4-tert-butylbenzoyl)amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3S2/c1-6-25-19(24)16-12(2)15(26-11-21)18(27-16)22-17(23)13-7-9-14(10-8-13)20(3,4)5/h7-10H,6H2,1-5H3,(H,22,23)