tert-butyl 5-decyl-2-[2-(4-methylphenyl)ethoxycarbonylamino]thiophene-3-carboxylate

Systemtic Name: tert-butyl 5-decyl-2-[2-(4-methylphenyl)ethoxycarbonylamino]thiophene-3-carboxylate Openeye Name: tert-butyl 5-decyl-2-[2-(p-tolyl)ethoxycarbonylamino]thiophene-3-carboxylate CAS Name: 5-decyl-2-[[2-(4-methylphenyl)ethoxy-oxomethyl]amino]-3-thiophenecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-decyl-2-[2-(4-methylphenyl)ethoxycarbonylamino]thiophene-3-carboxylate Traditional Name: 5-decyl-2-[2-(p-tolyl)ethoxycarbonylamino]thiophene-3-carboxylic acid tert-butyl ester Formula: C29H43NO4S MolecularWeight: 501.72102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC(=C(S1)NC(=O)OCCC2=CC=C(C=C2)C)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCC1=CC(=C(S1)NC(=O)OCCC2=CC=C(C=C2)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H43NO4S/c1-6-7-8-9-10-11-12-13-14-24-21-25(27(31)34-29(3,4)5)26(35-24)30-28(32)33-20-19-23-17-15-22(2)16-18-23/h15-18,21H,6-14,19-20H2,1-5H3,(H,30,32)