2-[(3-methyl-2H-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-1-benzazepine-5-carboxylate

Systemtic Name: 2-[(3-methyl-2H-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-1-benzazepine-5-carboxylate Openeye Name: 2-[(3-methyl-2H-thiazol-5-yl)methyl]-2,3-dihydro-1H-1-benzazepine-5-carboxylate CAS Name: 2-[(3-methyl-2H-thiazol-5-yl)methyl]-2,3-dihydro-1H-1-benzazepine-5-carboxylate IUPAC Name: 2-[(3-methyl-2H-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-1-benzazepine-5-carboxylate Traditional Name: 2-[(3-methyl-4-thiazolin-5-yl)methyl]-2,3-dihydro-1H-1-benzazepine-5-carboxylate Formula: C16H17N2O2S- MolecularWeight: 301.38338

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Descriptors Computed from Structure

Canonical SMILES:

CN1CSC(=C1)CC2CC=C(C3=CC=CC=C3N2)C(=O)[O-]

Isomeric SMILES

CN1CSC(=C1)CC2CC=C(C3=CC=CC=C3N2)C(=O)[O-]

InChI

InChI=1S/C16H18N2O2S/c1-18-9-12(21-10-18)8-11-6-7-14(16(19)20)13-4-2-3-5-15(13)17-11/h2-5,7,9,11,17H,6,8,10H2,1H3,(H,19,20)/p-1