(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylate CAS Name: 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylate Traditional Name: 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC2=C(CC1)C=C(S2)C(=O)OC(C3=CC=CC=C3)C(=O)N

Isomeric SMILES

C1CCCC2=C(CC1)C=C(S2)C(=O)OC(C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C19H21NO3S/c20-18(21)17(13-8-5-3-6-9-13)23-19(22)16-12-14-10-4-1-2-7-11-15(14)24-16/h3,5-6,8-9,12,17H,1-2,4,7,10-11H2,(H2,20,21)