tert-butyl 3-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)propanoate

Systemtic Name: tert-butyl 3-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)propanoate Openeye Name: tert-butyl 3-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)propanoate CAS Name: 3-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)propanoate Traditional Name: 3-(4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)propionic acid tert-butyl ester Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCN1C(=O)CCSC2=CC=CC=C21

Isomeric SMILES

CC(C)(C)OC(=O)CCN1C(=O)CCSC2=CC=CC=C21

InChI

InChI=1S/C16H21NO3S/c1-16(2,3)20-15(19)8-10-17-12-6-4-5-7-13(12)21-11-9-14(17)18/h4-7H,8-11H2,1-3H3