2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-1-benzazepine-5-carboxylate

Systemtic Name: 2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-1-benzazepine-5-carboxylate Openeye Name: 2-[(4-methylthiazol-5-yl)methyl]-2,3-dihydro-1H-1-benzazepine-5-carboxylate CAS Name: 2-[(4-methyl-5-thiazolyl)methyl]-2,3-dihydro-1H-1-benzazepine-5-carboxylate IUPAC Name: 2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-1-benzazepine-5-carboxylate Traditional Name: 2-[(4-methylthiazol-5-yl)methyl]-2,3-dihydro-1H-1-benzazepine-5-carboxylate Formula: C16H15N2O2S- MolecularWeight: 299.3675

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=N1)CC2CC=C(C3=CC=CC=C3N2)C(=O)[O-]

Isomeric SMILES

CC1=C(SC=N1)CC2CC=C(C3=CC=CC=C3N2)C(=O)[O-]

InChI

InChI=1S/C16H16N2O2S/c1-10-15(21-9-17-10)8-11-6-7-13(16(19)20)12-4-2-3-5-14(12)18-11/h2-5,7,9,11,18H,6,8H2,1H3,(H,19,20)/p-1