methyl 3-[2-(methylamino)-1,3-thiazol-4-yl]azulene-1-carboxylate

Systemtic Name: methyl 3-[2-(methylamino)-1,3-thiazol-4-yl]azulene-1-carboxylate Openeye Name: methyl 3-[2-(methylamino)thiazol-4-yl]azulene-1-carboxylate CAS Name: 3-[2-(methylamino)-4-thiazolyl]-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-(methylamino)-1,3-thiazol-4-yl]azulene-1-carboxylate Traditional Name: 3-[2-(methylamino)thiazol-4-yl]azulene-1-carboxylic acid methyl ester Formula: C16H14N2O2S MolecularWeight: 298.35956

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=CS1)C2=CC(=C3C2=CC=CC=C3)C(=O)OC

Isomeric SMILES

CNC1=NC(=CS1)C2=CC(=C3C2=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C16H14N2O2S/c1-17-16-18-14(9-21-16)12-8-13(15(19)20-2)11-7-5-3-4-6-10(11)12/h3-9H,1-2H3,(H,17,18)