N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-methoxyphenyl)sulfonyl-butanamide

Systemtic Name: N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-methoxyphenyl)sulfonyl-butanamide Openeye Name: N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-methoxyphenyl)sulfonyl-butanamide CAS Name: N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-methoxyphenyl)sulfonylbutanamide IUPAC Name: N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-methoxyphenyl)sulfonylbutanamide Traditional Name: N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-methoxyphenyl)sulfonyl-butyramide Formula: C21H24N2O5S2 MolecularWeight: 448.55566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)OC)S2)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)OC)S2)C

InChI

InChI=1S/C21H24N2O5S2/c1-4-28-16-9-12-18-19(14-16)29-21(23(18)2)22-20(24)6-5-13-30(25,26)17-10-7-15(27-3)8-11-17/h7-12,14H,4-6,13H2,1-3H3