2-azanyl-2-[3-methoxy-5-(4-methylphenyl)carbothioyl-phenyl]ethanoic acid

Systemtic Name: 2-azanyl-2-[3-methoxy-5-(4-methylphenyl)carbothioyl-phenyl]ethanoic acid Openeye Name: 2-amino-2-[3-methoxy-5-(4-methylbenzenecarbothioyl)phenyl]acetic acid CAS Name: 2-amino-2-[3-methoxy-5-[(4-methylphenyl)-sulfanylidenemethyl]phenyl]acetic acid IUPAC Name: 2-amino-2-[3-methoxy-5-(4-methylbenzenecarbothioyl)phenyl]acetic acid Traditional Name: 2-amino-2-[3-methoxy-5-(4-methylthiobenzoyl)phenyl]acetic acid Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=S)C2=CC(=CC(=C2)OC)C(C(=O)O)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=S)C2=CC(=CC(=C2)OC)C(C(=O)O)N

InChI

InChI=1S/C17H17NO3S/c1-10-3-5-11(6-4-10)16(22)13-7-12(15(18)17(19)20)8-14(9-13)21-2/h3-9,15H,18H2,1-2H3,(H,19,20)