N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[4-(4-ethoxyphenyl)thiazol-2-yl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[4-(4-ethoxyphenyl)-2-thiazolyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: 5-nitro-N-(4-p-phenetylthiazol-2-yl)benzothiophene-2-carboxamide Formula: C20H15N3O4S2 MolecularWeight: 425.4808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O4S2/c1-2-27-15-6-3-12(4-7-15)16-11-28-20(21-16)22-19(24)18-10-13-9-14(23(25)26)5-8-17(13)29-18/h3-11H,2H2,1H3,(H,21,22,24)