tert-butyl 2-[(3R)-3-[(3-methylphenyl)carbamoylamino]-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoate

Systemtic Name: tert-butyl 2-[(3R)-3-[(3-methylphenyl)carbamoylamino]-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoate Openeye Name: tert-butyl 2-[(3R)-3-(m-tolylcarbamoylamino)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetate CAS Name: 2-[(3R)-3-[[(3-methylanilino)-oxomethyl]amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(3R)-3-[(3-methylphenyl)carbamoylamino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetate Traditional Name: 2-[(3R)-4-keto-3-(m-tolylcarbamoylamino)-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid tert-butyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2CSC3=CC=CC=C3N(C2=O)CC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N[C@H]2CSC3=CC=CC=C3N(C2=O)CC(=O)OC(C)(C)C

InChI

InChI=1S/C23H27N3O4S/c1-15-8-7-9-16(12-15)24-22(29)25-17-14-31-19-11-6-5-10-18(19)26(21(17)28)13-20(27)30-23(2,3)4/h5-12,17H,13-14H2,1-4H3,(H2,24,25,29)/t17-/m0/s1