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

Systemtic Name: methyl 6-azanyl-2-[[5-(2-ethoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]hexanoate Openeye Name: methyl 6-amino-2-[[5-(2-ethoxy-2-oxo-ethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]hexanoate CAS Name: 6-amino-2-[[5-(2-ethoxy-2-oxoethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-amino-2-[[5-(2-ethoxy-2-oxoethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]hexanoate Traditional Name: 6-amino-2-[[5-(2-ethoxy-2-keto-ethyl)-4-keto-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]hexanoic acid methyl ester Formula: C20H29N3O5S MolecularWeight: 423.52636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)CC(SC2=CC=CC=C21)NC(CCCCN)C(=O)OC

Isomeric SMILES

CCOC(=O)CN1C(=O)CC(SC2=CC=CC=C21)NC(CCCCN)C(=O)OC

InChI

InChI=1S/C20H29N3O5S/c1-3-28-19(25)13-23-15-9-4-5-10-16(15)29-17(12-18(23)24)22-14(20(26)27-2)8-6-7-11-21/h4-5,9-10,14,17,22H,3,6-8,11-13,21H2,1-2H3