propan-2-yl 2-(3-methylbutanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-(3-methylbutanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: isopropyl 2-(3-methylbutanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[(3-methyl-1-oxobutyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(3-methylbutanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(isovalerylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid isopropyl ester Formula: C18H27NO3S MolecularWeight: 337.47688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=C(C2=C(S1)CCCCC2)C(=O)OC(C)C

Isomeric SMILES

CC(C)CC(=O)NC1=C(C2=C(S1)CCCCC2)C(=O)OC(C)C

InChI

InChI=1S/C18H27NO3S/c1-11(2)10-15(20)19-17-16(18(21)22-12(3)4)13-8-6-5-7-9-14(13)23-17/h11-12H,5-10H2,1-4H3,(H,19,20)