methyl 2-[4-[ethyl-(phenylmethyl)sulfamoyl]phenyl]carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[4-[ethyl-(phenylmethyl)sulfamoyl]phenyl]carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[4-[benzyl(ethyl)sulfamoyl]benzoyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[4-[ethyl-(phenylmethyl)sulfamoyl]phenyl]-oxomethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-[benzyl(ethyl)sulfamoyl]benzoyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-[benzyl(ethyl)sulfamoyl]benzoyl]imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C28H25N3O5S2 MolecularWeight: 547.6452

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)C(=O)OC)CC#C

Isomeric SMILES

CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)C(=O)OC)CC#C

InChI

InChI=1S/C28H25N3O5S2/c1-4-17-31-24-16-13-22(27(33)36-3)18-25(24)37-28(31)29-26(32)21-11-14-23(15-12-21)38(34,35)30(5-2)19-20-9-7-6-8-10-20/h1,6-16,18H,5,17,19H2,2-3H3