ethyl 3-azanyl-6-(phenylmethyl)-4,5,7,8-tetrahydrothieno[2,3-d]azepine-2-carboxylate

Systemtic Name: ethyl 3-azanyl-6-(phenylmethyl)-4,5,7,8-tetrahydrothieno[2,3-d]azepine-2-carboxylate Openeye Name: ethyl 3-amino-6-benzyl-4,5,7,8-tetrahydrothieno[2,3-d]azepine-2-carboxylate CAS Name: 3-amino-6-(phenylmethyl)-4,5,7,8-tetrahydrothieno[2,3-d]azepine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-6-benzyl-4,5,7,8-tetrahydrothieno[2,3-d]azepine-2-carboxylate Traditional Name: 3-amino-6-benzyl-4,5,7,8-tetrahydrothien[2,3-d]azepine-2-carboxylic acid ethyl ester Formula: C18H22N2O2S MolecularWeight: 330.44448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)CCN(CC2)CC3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)CCN(CC2)CC3=CC=CC=C3)N

InChI

InChI=1S/C18H22N2O2S/c1-2-22-18(21)17-16(19)14-8-10-20(11-9-15(14)23-17)12-13-6-4-3-5-7-13/h3-7H,2,8-12,19H2,1H3