2-(3-ethoxycarbonyl-2-sulfanylidene-cyclohepta[b]pyrrol-1-yl)ethanoic acid

Systemtic Name: 2-(3-ethoxycarbonyl-2-sulfanylidene-cyclohepta[b]pyrrol-1-yl)ethanoic acid Openeye Name: 2-(3-ethoxycarbonyl-2-thioxo-cyclohepta[b]pyrrol-1-yl)acetic acid CAS Name: 2-(3-ethoxycarbonyl-2-sulfanylidene-1-cyclohepta[b]pyrrolyl)acetic acid IUPAC Name: 2-(3-ethoxycarbonyl-2-sulfanylidenecyclohepta[b]pyrrol-1-yl)acetic acid Traditional Name: 2-(3-carbethoxy-2-thioxo-cyclohepta[b]pyrrol-1-yl)acetic acid Formula: C14H13NO4S MolecularWeight: 291.32232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=CC=CC=C2N(C1=S)CC(=O)O

Isomeric SMILES

CCOC(=O)C1=C2C=CC=CC=C2N(C1=S)CC(=O)O

InChI

InChI=1S/C14H13NO4S/c1-2-19-14(18)12-9-6-4-3-5-7-10(9)15(13(12)20)8-11(16)17/h3-7H,2,8H2,1H3,(H,16,17)