ethyl 2-[[5-(2-ethoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]-6-piperidin-1-yl-hexanoate

Systemtic Name: ethyl 2-[[5-(2-ethoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]-6-piperidin-1-yl-hexanoate Openeye Name: ethyl 2-[[5-(2-ethoxy-2-oxo-ethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]-6-(1-piperidyl)hexanoate CAS Name: 2-[[5-(2-ethoxy-2-oxoethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]-6-(1-piperidinyl)hexanoic acid ethyl ester IUPAC Name: ethyl 2-[[5-(2-ethoxy-2-oxoethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]-6-piperidin-1-ylhexanoate Traditional Name: 2-[[5-(2-ethoxy-2-keto-ethyl)-4-keto-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]-6-piperidino-hexanoic acid ethyl ester Formula: C26H39N3O5S MolecularWeight: 505.66996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)CC(SC2=CC=CC=C21)NC(CCCCN3CCCCC3)C(=O)OCC

Isomeric SMILES

CCOC(=O)CN1C(=O)CC(SC2=CC=CC=C21)NC(CCCCN3CCCCC3)C(=O)OCC

InChI

InChI=1S/C26H39N3O5S/c1-3-33-25(31)19-29-21-13-6-7-14-22(21)35-23(18-24(29)30)27-20(26(32)34-4-2)12-8-11-17-28-15-9-5-10-16-28/h6-7,13-14,20,23,27H,3-5,8-12,15-19H2,1-2H3