7-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-ylmethyl)-6-methoxycarbonyl-4,7-dihydro-1,4-thiazepine-3-carboxylic acid

Systemtic Name: 7-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-ylmethyl)-6-methoxycarbonyl-4,7-dihydro-1,4-thiazepine-3-carboxylic acid Openeye Name: 7-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-ylmethyl)-6-methoxycarbonyl-4,7-dihydro-1,4-thiazepine-3-carboxylic acid CAS Name: 7-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-ylmethyl)-6-methoxycarbonyl-4,7-dihydro-1,4-thiazepine-3-carboxylic acid IUPAC Name: 7-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-ylmethyl)-6-methoxycarbonyl-4,7-dihydro-1,4-thiazepine-3-carboxylic acid Traditional Name: 6-carbomethoxy-7-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-ylmethyl)-4,7-dihydro-1,4-thiazepine-3-carboxylic acid Formula: C16H17NO4S3 MolecularWeight: 383.50548

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CNC(=CSC1CC2=CC3=C(S2)CCSC3)C(=O)O

Isomeric SMILES

COC(=O)C1=CNC(=CSC1CC2=CC3=C(S2)CCSC3)C(=O)O

InChI

InChI=1S/C16H17NO4S3/c1-21-16(20)11-6-17-12(15(18)19)8-23-14(11)5-10-4-9-7-22-3-2-13(9)24-10/h4,6,8,14,17H,2-3,5,7H2,1H3,(H,18,19)