[2-(4-ethylsulfanyl-6-isocyano-1,2,3,4-tetrahydroquinolin-2-yl)-2-methyl-propyl] 4-ethoxybenzoate

Systemtic Name: [2-(4-ethylsulfanyl-6-isocyano-1,2,3,4-tetrahydroquinolin-2-yl)-2-methyl-propyl] 4-ethoxybenzoate Openeye Name: [2-(4-ethylsulfanyl-6-isocyano-1,2,3,4-tetrahydroquinolin-2-yl)-2-methyl-propyl] 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic acid [2-[4-(ethylthio)-6-isocyano-1,2,3,4-tetrahydroquinolin-2-yl]-2-methylpropyl] ester IUPAC Name: [2-(4-ethylsulfanyl-6-isocyano-1,2,3,4-tetrahydroquinolin-2-yl)-2-methylpropyl] 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid [2-[4-(ethylthio)-6-isocyano-1,2,3,4-tetrahydroquinolin-2-yl]-2-methyl-propyl] ester Formula: C25H30N2O3S MolecularWeight: 438.5823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)OCC(C)(C)C2CC(C3=C(N2)C=CC(=C3)[N+]#[C-])SCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)OCC(C)(C)C2CC(C3=C(N2)C=CC(=C3)[N+]#[C-])SCC

InChI

InChI=1S/C25H30N2O3S/c1-6-29-19-11-8-17(9-12-19)24(28)30-16-25(3,4)23-15-22(31-7-2)20-14-18(26-5)10-13-21(20)27-23/h8-14,22-23,27H,6-7,15-16H2,1-4H3