[(2S)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate Openeye Name: [(1S)-2-anilino-1-methyl-2-oxo-ethyl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate CAS Name: 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylic acid [(2S)-1-anilino-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-anilino-1-oxopropan-2-yl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate Traditional Name: 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylic acid [(1S)-2-anilino-2-keto-1-methyl-ethyl] ester Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)OC(=O)C2=CC3=C(S2)CCCCC3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1)OC(=O)C2=CC3=C(S2)CCCCC3

InChI

InChI=1S/C19H21NO3S/c1-13(18(21)20-15-9-5-3-6-10-15)23-19(22)17-12-14-8-4-2-7-11-16(14)24-17/h3,5-6,9-10,12-13H,2,4,7-8,11H2,1H3,(H,20,21)/t13-/m0/s1