tert-butyl 7-[(E)-prop-1-enyl]-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxylate

Systemtic Name: tert-butyl 7-[(E)-prop-1-enyl]-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxylate Openeye Name: tert-butyl 7-[(E)-prop-1-enyl]-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxylate CAS Name: 7-[(E)-prop-1-enyl]-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-[(E)-prop-1-enyl]-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxylate Traditional Name: 7-[(E)-prop-1-enyl]-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxylic acid tert-butyl ester Formula: C17H23NO2S MolecularWeight: 305.43502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=CC2=C(C=C1)SCCN(C2)C(=O)OC(C)(C)C

Isomeric SMILES

C/C=C/C1=CC2=C(C=C1)SCCN(C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H23NO2S/c1-5-6-13-7-8-15-14(11-13)12-18(9-10-21-15)16(19)20-17(2,3)4/h5-8,11H,9-10,12H2,1-4H3/b6-5+