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

Systemtic Name: propan-2-yl 2-(2-phenylbutanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: isopropyl 2-(2-phenylbutanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[(1-oxo-2-phenylbutyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(2-phenylbutanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(2-phenylbutanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid isopropyl ester Formula: C23H29NO3S MolecularWeight: 399.54626

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)OC(C)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)OC(C)C

InChI

InChI=1S/C23H29NO3S/c1-4-17(16-11-7-5-8-12-16)21(25)24-22-20(23(26)27-15(2)3)18-13-9-6-10-14-19(18)28-22/h5,7-8,11-12,15,17H,4,6,9-10,13-14H2,1-3H3,(H,24,25)