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

Systemtic Name: ethyl 2-[4-[butyl(methyl)sulfamoyl]phenyl]carbonylimino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-allyl-2-[4-[butyl(methyl)sulfamoyl]benzoyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[4-[butyl(methyl)sulfamoyl]phenyl]-oxomethyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-[butyl(methyl)sulfamoyl]benzoyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Traditional Name: 3-allyl-2-[4-[butyl(methyl)sulfamoyl]benzoyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C25H29N3O5S2 MolecularWeight: 515.64486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OCC)CC=C

Isomeric SMILES

CCCCN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OCC)CC=C

InChI

InChI=1S/C25H29N3O5S2/c1-5-8-16-27(4)35(31,32)20-12-9-18(10-13-20)23(29)26-25-28(15-6-2)21-14-11-19(17-22(21)34-25)24(30)33-7-3/h6,9-14,17H,2,5,7-8,15-16H2,1,3-4H3