dimethyl 2-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CN2CCCSC3=CC=CC=C32

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CN2CCCSC3=CC=CC=C32

InChI

InChI=1S/C21H22N2O5S/c1-27-20(25)14-8-9-15(21(26)28-2)16(12-14)22-19(24)13-23-10-5-11-29-18-7-4-3-6-17(18)23/h3-4,6-9,12H,5,10-11,13H2,1-2H3,(H,22,24)