methyl 3-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C20H22N2O3S MolecularWeight: 370.46528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2CCCSC3=CC=CC=C32

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2CCCSC3=CC=CC=C32

InChI

InChI=1S/C20H22N2O3S/c1-14-8-9-15(20(24)25-2)12-16(14)21-19(23)13-22-10-5-11-26-18-7-4-3-6-17(18)22/h3-4,6-9,12H,5,10-11,13H2,1-2H3,(H,21,23)