[2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-methoxynaphthalene-1-carboxylate

Systemtic Name: [2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-methoxynaphthalene-1-carboxylate Openeye Name: [2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxo-ethyl] 4-methoxynaphthalene-1-carboxylate CAS Name: 4-methoxy-1-naphthalenecarboxylic acid [2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate Traditional Name: 4-methoxynaphthalene-1-carboxylic acid [2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C2=CC=CC=C21)C(=O)OCC(=O)NC3=C(C4=C(S3)CCC4)C#N

Isomeric SMILES

COC1=CC=C(C2=CC=CC=C21)C(=O)OCC(=O)NC3=C(C4=C(S3)CCC4)C#N

InChI

InChI=1S/C22H18N2O4S/c1-27-18-10-9-16(13-5-2-3-6-14(13)18)22(26)28-12-20(25)24-21-17(11-23)15-7-4-8-19(15)29-21/h2-3,5-6,9-10H,4,7-8,12H2,1H3,(H,24,25)