2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]terephthalate

Systemtic Name: 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]terephthalate Openeye Name: 2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]terephthalate CAS Name: 2-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-oxomethyl]terephthalate IUPAC Name: 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]terephthalate Traditional Name: 2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]terephthalate Formula: C18H12N2O5S-2 MolecularWeight: 368.36328

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C=CC(=C3)C(=O)[O-])C(=O)[O-])C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C=CC(=C3)C(=O)[O-])C(=O)[O-])C#N

InChI

InChI=1S/C18H14N2O5S/c19-8-13-10-3-1-2-4-14(10)26-16(13)20-15(21)12-7-9(17(22)23)5-6-11(12)18(24)25/h5-7H,1-4H2,(H,20,21)(H,22,23)(H,24,25)/p-2