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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)CC=C

Isomeric SMILES

CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)CC=C

InChI

InChI=1S/C25H29N3O5S2/c1-5-14-27(15-6-2)35(31,32)20-11-8-18(9-12-20)23(29)26-25-28(16-7-3)21-13-10-19(24(30)33-4)17-22(21)34-25/h7-13,17H,3,5-6,14-16H2,1-2,4H3