3-(3-azanyl-3-sulfanylidene-propoxy)benzoic acid

Systemtic Name: 3-(3-azanyl-3-sulfanylidene-propoxy)benzoic acid Openeye Name: 3-(3-amino-3-thioxo-propoxy)benzoic acid CAS Name: 3-(3-amino-3-sulfanylidenepropoxy)benzoic acid IUPAC Name: 3-(3-amino-3-sulfanylidenepropoxy)benzoic acid Traditional Name: 3-(3-amino-3-thioxo-propoxy)benzoic acid Formula: C10H11NO3S MolecularWeight: 225.26424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCCC(=S)N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)OCCC(=S)N)C(=O)O

InChI

InChI=1S/C10H11NO3S/c11-9(15)4-5-14-8-3-1-2-7(6-8)10(12)13/h1-3,6H,4-5H2,(H2,11,15)(H,12,13)