4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-3H-1,4-thiazine-3-carboxylic acid

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-3H-1,4-thiazine-3-carboxylic acid Openeye Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-3H-1,4-thiazine-3-carboxylic acid CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-3H-1,4-thiazine-3-carboxylic acid IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-3H-1,4-thiazine-3-carboxylic acid Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-3H-1,4-thiazine-3-carboxylic acid Formula: C17H19NO5S2 MolecularWeight: 381.46646

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2C=CSC(C2C(=O)O)(C)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2C=CSC(C2C(=O)O)(C)C

InChI

InChI=1S/C17H19NO5S2/c1-4-5-11-23-13-6-8-14(9-7-13)25(21,22)18-10-12-24-17(2,3)15(18)16(19)20/h6-10,12,15H,11H2,1-3H3,(H,19,20)