N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-3-(4-methoxyphenyl)sulfonyl-propanamide

Systemtic Name: N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-3-(4-methoxyphenyl)sulfonyl-propanamide Openeye Name: N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-3-(4-methoxyphenyl)sulfonyl-propanamide CAS Name: N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-3-(4-methoxyphenyl)sulfonylpropanamide IUPAC Name: N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-3-(4-methoxyphenyl)sulfonylpropanamide Traditional Name: N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-3-(4-methoxyphenyl)sulfonyl-propionamide Formula: C20H21N3O7S2 MolecularWeight: 479.52664

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H21N3O7S2/c1-29-11-10-22-17-8-3-14(23(25)26)13-18(17)31-20(22)21-19(24)9-12-32(27,28)16-6-4-15(30-2)5-7-16/h3-8,13H,9-12H2,1-2H3