S-methyl (2Z)-2-(3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)-2-methoxy-ethanethioate

Systemtic Name: S-methyl (2Z)-2-(3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)-2-methoxy-ethanethioate Openeye Name: S-methyl (2Z)-2-(3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)-2-methoxy-ethanethioate CAS Name: (2Z)-2-(3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)-2-methoxyethanethioic acid S-methyl ester IUPAC Name: S-methyl (2Z)-2-(3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)-2-methoxyethanethioate Traditional Name: (2Z)-2-(3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)-2-methoxy-ethanethioic acid S-methyl ester Formula: C13H15NO2S2 MolecularWeight: 281.3937

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Descriptors Computed from Structure

Canonical SMILES:

COC(=C1CCSC2=CC=CC=C2N1)C(=O)SC

Isomeric SMILES

CO/C(=C\1/CCSC2=CC=CC=C2N1)/C(=O)SC

InChI

InChI=1S/C13H15NO2S2/c1-16-12(13(15)17-2)10-7-8-18-11-6-4-3-5-9(11)14-10/h3-6,14H,7-8H2,1-2H3/b12-10-