6-(ethanethioylamino)-4-ethyl-9H-pyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: 6-(ethanethioylamino)-4-ethyl-9H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 6-(ethanethioylamino)-4-ethyl-9H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 4-ethyl-6-(1-sulfanylideneethylamino)-9H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 6-(ethanethioylamino)-4-ethyl-9H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 4-ethyl-6-(thioacetylamino)-9H-$b-carboline-3-carboxylic acid Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C3=C(C=CC(=C3)NC(=S)C)NC2=CN=C1C(=O)O

Isomeric SMILES

CCC1=C2C3=C(C=CC(=C3)NC(=S)C)NC2=CN=C1C(=O)O

InChI

InChI=1S/C16H15N3O2S/c1-3-10-14-11-6-9(18-8(2)22)4-5-12(11)19-13(14)7-17-15(10)16(20)21/h4-7,19H,3H2,1-2H3,(H,18,22)(H,20,21)