(phenylmethyl) 2-[(3-chloranyl-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]ethanoate

Systemtic Name: (phenylmethyl) 2-[(3-chloranyl-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]ethanoate Openeye Name: benzyl 2-[(3-chloro-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetate CAS Name: 2-[(3-chloro-7,8,9,10-tetrahydrophenanthridin-6-yl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(3-chloro-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetate Traditional Name: 2-[(3-chloro-7,8,9,10-tetrahydrophenanthridin-6-yl)thio]acetic acid benzyl ester Formula: C22H20ClNO2S MolecularWeight: 397.9177

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C3C=C(C=CC3=C2C1)Cl)SCC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(N=C3C=C(C=CC3=C2C1)Cl)SCC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H20ClNO2S/c23-16-10-11-18-17-8-4-5-9-19(17)22(24-20(18)12-16)27-14-21(25)26-13-15-6-2-1-3-7-15/h1-3,6-7,10-12H,4-5,8-9,13-14H2