4-[[3-(naphthalen-1-ylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-(naphthalen-1-ylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-(1-naphthylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[3-[(1-naphthalenylamino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[3-(naphthalen-1-ylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[[3-(1-naphthylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]butyric acid Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CCC(=O)O)C(=O)NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CCC(=O)O)C(=O)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H22N2O4S/c26-19(12-13-20(27)28)25-23-21(16-9-3-4-11-18(16)30-23)22(29)24-17-10-5-7-14-6-1-2-8-15(14)17/h1-2,5-8,10H,3-4,9,11-13H2,(H,24,29)(H,25,26)(H,27,28)