ethyl (2S)-2-(6,11-dihydrobenzo[c][1]benzothiepin-11-ylamino)propanoate

Systemtic Name: ethyl (2S)-2-(6,11-dihydrobenzo[c][1]benzothiepin-11-ylamino)propanoate Openeye Name: ethyl (2S)-2-(6,11-dihydrobenzo[c][1]benzothiepin-11-ylamino)propanoate CAS Name: (2S)-2-(6,11-dihydrobenzo[c][1]benzothiepin-11-ylamino)propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-(6,11-dihydrobenzo[c][1]benzothiepin-11-ylamino)propanoate Traditional Name: (2S)-2-(6,11-dihydrobenzo[c][1]benzothiepin-11-ylamino)propionic acid ethyl ester Formula: C19H21NO2S MolecularWeight: 327.44054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)NC1C2=CC=CC=C2CSC3=CC=CC=C13

Isomeric SMILES

CCOC(=O)[C@H](C)NC1C2=CC=CC=C2CSC3=CC=CC=C13

InChI

InChI=1S/C19H21NO2S/c1-3-22-19(21)13(2)20-18-15-9-5-4-8-14(15)12-23-17-11-7-6-10-16(17)18/h4-11,13,18,20H,3,12H2,1-2H3/t13-,18?/m0/s1