methyl 2-[[7-[2-(cyclopropylcarbonylamino)ethyl]-8,9-dihydro-7H-phenalen-1-yl]sulfanyl]benzoate

Systemtic Name: methyl 2-[[7-[2-(cyclopropylcarbonylamino)ethyl]-8,9-dihydro-7H-phenalen-1-yl]sulfanyl]benzoate Openeye Name: methyl 2-[[7-[2-(cyclopropanecarbonylamino)ethyl]-8,9-dihydro-7H-phenalen-1-yl]sulfanyl]benzoate CAS Name: 2-[[7-[2-[[cyclopropyl(oxo)methyl]amino]ethyl]-8,9-dihydro-7H-phenalen-1-yl]thio]benzoic acid methyl ester IUPAC Name: methyl 2-[[7-[2-(cyclopropanecarbonylamino)ethyl]-8,9-dihydro-7H-phenalen-1-yl]sulfanyl]benzoate Traditional Name: 2-[[7-[2-(cyclopropanecarbonylamino)ethyl]-8,9-dihydro-7H-phenalen-1-yl]thio]benzoic acid methyl ester Formula: C27H27NO3S MolecularWeight: 445.57318

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1SC2=C3CCC(C4=CC=CC(=C34)C=C2)CCNC(=O)C5CC5

Isomeric SMILES

COC(=O)C1=CC=CC=C1SC2=C3CCC(C4=CC=CC(=C34)C=C2)CCNC(=O)C5CC5

InChI

InChI=1S/C27H27NO3S/c1-31-27(30)22-6-2-3-8-23(22)32-24-14-12-18-5-4-7-20-17(11-13-21(24)25(18)20)15-16-28-26(29)19-9-10-19/h2-8,12,14,17,19H,9-11,13,15-16H2,1H3,(H,28,29)