methyl 4-(4-but-2-ynoxyphenyl)sulfonyl-5H-1,4-thiazepine-5-carboxylate

Systemtic Name: methyl 4-(4-but-2-ynoxyphenyl)sulfonyl-5H-1,4-thiazepine-5-carboxylate Openeye Name: methyl 4-(4-but-2-ynoxyphenyl)sulfonyl-5H-1,4-thiazepine-5-carboxylate CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-5H-1,4-thiazepine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-but-2-ynoxyphenyl)sulfonyl-5H-1,4-thiazepine-5-carboxylate Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-5H-1,4-thiazepine-5-carboxylic acid methyl ester Formula: C17H17NO5S2 MolecularWeight: 379.45058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO5S2/c1-3-4-11-23-14-5-7-15(8-6-14)25(20,21)18-10-13-24-12-9-16(18)17(19)22-2/h5-10,12-13,16H,11H2,1-2H3