methyl 2-[6-acetamido-2-[4-(dipropylsulfamoyl)phenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-acetamido-2-[4-(dipropylsulfamoyl)phenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-acetamido-2-[4-(dipropylsulfamoyl)benzoyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-[[4-(dipropylsulfamoyl)phenyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-acetamido-2-[4-(dipropylsulfamoyl)benzoyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-acetamido-2-[4-(dipropylsulfamoyl)benzoyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C25H30N4O6S2 MolecularWeight: 546.6589

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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)NC(=O)C)CC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O6S2/c1-5-13-28(14-6-2)37(33,34)20-10-7-18(8-11-20)24(32)27-25-29(16-23(31)35-4)21-12-9-19(26-17(3)30)15-22(21)36-25/h7-12,15H,5-6,13-14,16H2,1-4H3,(H,26,30)