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

Systemtic Name: 2-[(2-methylphenyl)carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: 2-[(2-methylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[(2-methylphenyl)-oxomethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate IUPAC Name: 2-[(2-methylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(o-toluoylamino)-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:

CC1=CC=CC=C1C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)[O-]

InChI

InChI=1S/C18H19NO3S/c1-11-7-5-6-8-12(11)16(20)19-17-15(18(21)22)13-9-3-2-4-10-14(13)23-17/h5-8H,2-4,9-10H2,1H3,(H,19,20)(H,21,22)/p-1