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

Systemtic Name: 2-(2-phenylethanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: 2-[(2-phenylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[(1-oxo-2-phenylethyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate IUPAC Name: 2-[(2-phenylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[(2-phenylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Formula: C18H18NO3S- MolecularWeight: 328.40542

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C(=O)[O-])NC(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C(=O)[O-])NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H19NO3S/c20-15(11-12-7-3-1-4-8-12)19-17-16(18(21)22)13-9-5-2-6-10-14(13)23-17/h1,3-4,7-8H,2,5-6,9-11H2,(H,19,20)(H,21,22)/p-1