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

Systemtic Name: 2-[3-(4-methylphenyl)propanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: 2-[3-(p-tolyl)propanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[3-(4-methylphenyl)-1-oxopropyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate IUPAC Name: 2-[3-(4-methylphenyl)propanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[3-(p-tolyl)propanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Formula: C20H22NO3S- MolecularWeight: 356.45858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CCC(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)[O-]

InChI

InChI=1S/C20H23NO3S/c1-13-7-9-14(10-8-13)11-12-17(22)21-19-18(20(23)24)15-5-3-2-4-6-16(15)25-19/h7-10H,2-6,11-12H2,1H3,(H,21,22)(H,23,24)/p-1