ethyl 3-(2-azanylethoxy)-5,6-dihydrobenzo[b][1]benzothiepine-7-carboxylate

Systemtic Name: ethyl 3-(2-azanylethoxy)-5,6-dihydrobenzo[b][1]benzothiepine-7-carboxylate Openeye Name: ethyl 3-(2-aminoethoxy)-5,6-dihydrobenzo[b][1]benzothiepine-7-carboxylate CAS Name: 3-(2-aminoethoxy)-5,6-dihydrobenzo[b][1]benzothiepin-7-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-aminoethoxy)-5,6-dihydrobenzo[b][1]benzothiepine-7-carboxylate Traditional Name: 3-(2-aminoethoxy)-5,6-dihydrobenzo[b][1]benzothiepin-7-carboxylic acid ethyl ester Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CCC3=C(C=CC(=C3)OCCN)SC2=CC=C1

Isomeric SMILES

CCOC(=O)C1=C2CCC3=C(C=CC(=C3)OCCN)SC2=CC=C1

InChI

InChI=1S/C19H21NO3S/c1-2-22-19(21)16-4-3-5-18-15(16)8-6-13-12-14(23-11-10-20)7-9-17(13)24-18/h3-5,7,9,12H,2,6,8,10-11,20H2,1H3