2-[(3-methyl-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(3-methyl-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(3-methyl-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetic acid CAS Name: 2-[(3-methyl-7,8,9,10-tetrahydrophenanthridin-6-yl)thio]acetic acid IUPAC Name: 2-[(3-methyl-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetic acid Traditional Name: 2-[(3-methyl-7,8,9,10-tetrahydrophenanthridin-6-yl)thio]acetic acid Formula: C16H17NO2S MolecularWeight: 287.37668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C3CCCCC3=C2C=C1)SCC(=O)O

Isomeric SMILES

CC1=CC2=NC(=C3CCCCC3=C2C=C1)SCC(=O)O

InChI

InChI=1S/C16H17NO2S/c1-10-6-7-12-11-4-2-3-5-13(11)16(17-14(12)8-10)20-9-15(18)19/h6-8H,2-5,9H2,1H3,(H,18,19)