3-chloranylpropyl 8-methoxy-2-methyl-3-oxidanylidene-4,5-dihydro-1-benzothiepine-2-carboxylate

Systemtic Name: 3-chloranylpropyl 8-methoxy-2-methyl-3-oxidanylidene-4,5-dihydro-1-benzothiepine-2-carboxylate Openeye Name: 3-chloropropyl 8-methoxy-2-methyl-3-oxo-4,5-dihydro-1-benzothiepine-2-carboxylate CAS Name: 8-methoxy-2-methyl-3-oxo-4,5-dihydro-1-benzothiepin-2-carboxylic acid 3-chloropropyl ester IUPAC Name: 3-chloropropyl 8-methoxy-2-methyl-3-oxo-4,5-dihydro-1-benzothiepine-2-carboxylate Traditional Name: 3-keto-8-methoxy-2-methyl-4,5-dihydro-1-benzothiepin-2-carboxylic acid 3-chloropropyl ester Formula: C16H19ClO4S MolecularWeight: 342.83766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)CCC2=C(S1)C=C(C=C2)OC)C(=O)OCCCCl

Isomeric SMILES

CC1(C(=O)CCC2=C(S1)C=C(C=C2)OC)C(=O)OCCCCl

InChI

InChI=1S/C16H19ClO4S/c1-16(15(19)21-9-3-8-17)14(18)7-5-11-4-6-12(20-2)10-13(11)22-16/h4,6,10H,3,5,7-9H2,1-2H3