4-azanyl-5-methanethioyl-2-methoxy-benzoic acid

Systemtic Name: 4-azanyl-5-methanethioyl-2-methoxy-benzoic acid Openeye Name: 4-amino-5-methanethioyl-2-methoxy-benzoic acid CAS Name: 4-amino-5-methanethioyl-2-methoxybenzoic acid IUPAC Name: 4-amino-5-methanethioyl-2-methoxybenzoic acid Traditional Name: 4-amino-2-methoxy-5-thioformyl-benzoic acid Formula: C9H9NO3S MolecularWeight: 211.23766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)N)C=S)C(=O)O

Isomeric SMILES

COC1=C(C=C(C(=C1)N)C=S)C(=O)O

InChI

InChI=1S/C9H9NO3S/c1-13-8-3-7(10)5(4-14)2-6(8)9(11)12/h2-4H,10H2,1H3,(H,11,12)