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

Systemtic Name: 2-[(2,3-dimethyl-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(2,3-dimethyl-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetic acid CAS Name: 2-[(2,3-dimethyl-7,8,9,10-tetrahydrophenanthridin-6-yl)thio]acetic acid IUPAC Name: 2-[(2,3-dimethyl-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetic acid Traditional Name: 2-[(2,3-dimethyl-7,8,9,10-tetrahydrophenanthridin-6-yl)thio]acetic acid Formula: C17H19NO2S MolecularWeight: 301.40326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C3=C(CCCC3)C(=N2)SCC(=O)O)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C3=C(CCCC3)C(=N2)SCC(=O)O)C

InChI

InChI=1S/C17H19NO2S/c1-10-7-14-12-5-3-4-6-13(12)17(21-9-16(19)20)18-15(14)8-11(10)2/h7-8H,3-6,9H2,1-2H3,(H,19,20)