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

Systemtic Name: methyl 2-[4-[ethyl(phenyl)sulfamoyl]phenyl]carbonylimino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-allyl-2-[4-[ethyl(phenyl)sulfamoyl]benzoyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[4-[ethyl(phenyl)sulfamoyl]phenyl]-oxomethyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-[ethyl(phenyl)sulfamoyl]benzoyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Traditional Name: 3-allyl-2-[4-[ethyl(phenyl)sulfamoyl]benzoyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C27H25N3O5S2 MolecularWeight: 535.6345

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=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(C1=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/C27H25N3O5S2/c1-4-17-29-23-16-13-20(26(32)35-3)18-24(23)36-27(29)28-25(31)19-11-14-22(15-12-19)37(33,34)30(5-2)21-9-7-6-8-10-21/h4,6-16,18H,1,5,17H2,2-3H3