tert-butyl 2-(propan-2-ylcarbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: tert-butyl 2-(propan-2-ylcarbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: tert-butyl 2-(isopropylcarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[oxo-(propan-2-ylamino)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(propan-2-ylcarbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(isopropylcarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid tert-butyl ester Formula: C17H26N2O3S MolecularWeight: 338.46494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)NC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H26N2O3S/c1-10(2)18-16(21)19-14-13(15(20)22-17(3,4)5)11-8-6-7-9-12(11)23-14/h10H,6-9H2,1-5H3,(H2,18,19,21)