[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-iodanylbenzoate

Systemtic Name: [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-iodanylbenzoate Openeye Name: [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxo-ethyl] 4-iodobenzoate CAS Name: 4-iodobenzoic acid [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 4-iodobenzoate Traditional Name: 4-iodobenzoic acid [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C19H17IN2O3S MolecularWeight: 480.31935

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C#N)NC(=O)COC(=O)C3=CC=C(C=C3)I

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C#N)NC(=O)COC(=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C19H17IN2O3S/c20-13-8-6-12(7-9-13)19(24)25-11-17(23)22-18-15(10-21)14-4-2-1-3-5-16(14)26-18/h6-9H,1-5,11H2,(H,22,23)