4-(4-but-2-ynoxyphenyl)sulfonyl-5H-1,4-thiazepine-5-carboxylic acid

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-5H-1,4-thiazepine-5-carboxylic acid Openeye Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-5H-1,4-thiazepine-5-carboxylic acid CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-5H-1,4-thiazepine-5-carboxylic acid IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-5H-1,4-thiazepine-5-carboxylic acid Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-5H-1,4-thiazepine-5-carboxylic acid Formula: C16H15NO5S2 MolecularWeight: 365.424

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2C=CSC=CC2C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2C=CSC=CC2C(=O)O

InChI

InChI=1S/C16H15NO5S2/c1-2-3-10-22-13-4-6-14(7-5-13)24(20,21)17-9-12-23-11-8-15(17)16(18)19/h4-9,11-12,15H,10H2,1H3,(H,18,19)