4-[(9-cyclopentyl-7-thia-9-azaspiro[4.4]nonan-8-ylidene)amino]-3-ethyl-benzoic acid

Systemtic Name: 4-[(9-cyclopentyl-7-thia-9-azaspiro[4.4]nonan-8-ylidene)amino]-3-ethyl-benzoic acid Openeye Name: 4-[(9-cyclopentyl-7-thia-9-azaspiro[4.4]nonan-8-ylidene)amino]-3-ethyl-benzoic acid CAS Name: 4-[(9-cyclopentyl-7-thia-9-azaspiro[4.4]nonan-8-ylidene)amino]-3-ethylbenzoic acid IUPAC Name: 4-[(9-cyclopentyl-7-thia-9-azaspiro[4.4]nonan-8-ylidene)amino]-3-ethylbenzoic acid Traditional Name: 4-[(9-cyclopentyl-7-thia-9-azaspiro[4.4]nonan-8-ylidene)amino]-3-ethyl-benzoic acid Formula: C21H28N2O2S MolecularWeight: 372.52422

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C(=O)O)N=C2N(C3(CCCC3)CS2)C4CCCC4

Isomeric SMILES

CCC1=C(C=CC(=C1)C(=O)O)N=C2N(C3(CCCC3)CS2)C4CCCC4

InChI

InChI=1S/C21H28N2O2S/c1-2-15-13-16(19(24)25)9-10-18(15)22-20-23(17-7-3-4-8-17)21(14-26-20)11-5-6-12-21/h9-10,13,17H,2-8,11-12,14H2,1H3,(H,24,25)