N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-3-(4-methoxyphenyl)sulfanyl-propanamide

Systemtic Name: N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-3-(4-methoxyphenyl)sulfanyl-propanamide Openeye Name: N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-3-(4-methoxyphenyl)sulfanyl-propanamide CAS Name: N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-3-[(4-methoxyphenyl)thio]propanamide IUPAC Name: N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-3-(4-methoxyphenyl)sulfanylpropanamide Traditional Name: N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-3-[(4-methoxyphenyl)thio]propionamide Formula: C21H23N3O5S2 MolecularWeight: 461.55442

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CCSC3=CC=C(C=C3)OC

Isomeric SMILES

CCOCCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CCSC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H23N3O5S2/c1-3-29-12-11-23-18-14-15(24(26)27)4-9-19(18)31-21(23)22-20(25)10-13-30-17-7-5-16(28-2)6-8-17/h4-9,14H,3,10-13H2,1-2H3