2,2-dimethylpropanoyl 7-chloranyl-5-methyl-3,4-dihydro-2H-1,5-benzothiazepine-9-carboxylate

Systemtic Name: 2,2-dimethylpropanoyl 7-chloranyl-5-methyl-3,4-dihydro-2H-1,5-benzothiazepine-9-carboxylate Openeye Name: 2,2-dimethylpropanoyl 7-chloro-5-methyl-3,4-dihydro-2H-1,5-benzothiazepine-9-carboxylate CAS Name: 7-chloro-5-methyl-3,4-dihydro-2H-1,5-benzothiazepine-9-carboxylic acid (2,2-dimethyl-1-oxopropyl) ester IUPAC Name: 2,2-dimethylpropanoyl 7-chloro-5-methyl-3,4-dihydro-2H-1,5-benzothiazepine-9-carboxylate Traditional Name: 7-chloro-5-methyl-3,4-dihydro-2H-1,5-benzothiazepine-9-carboxylic acid pivaloyl ester Formula: C16H20ClNO3S MolecularWeight: 341.8529

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC(=O)C1=CC(=CC2=C1SCCCN2C)Cl

Isomeric SMILES

CC(C)(C)C(=O)OC(=O)C1=CC(=CC2=C1SCCCN2C)Cl

InChI

InChI=1S/C16H20ClNO3S/c1-16(2,3)15(20)21-14(19)11-8-10(17)9-12-13(11)22-7-5-6-18(12)4/h8-9H,5-7H2,1-4H3