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

Systemtic Name: 3-chloranyl-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methoxy-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-(4-ethoxyphenyl)thiazol-2-yl]-5-methoxy-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-(4-ethoxyphenyl)-2-thiazolyl]-5-methoxy-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methoxy-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-5-methoxy-N-(4-p-phenetylthiazol-2-yl)benzothiophene-2-carboxamide Formula: C21H17ClN2O3S2 MolecularWeight: 444.95428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C4=C(S3)C=CC(=C4)OC)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C4=C(S3)C=CC(=C4)OC)Cl

InChI

InChI=1S/C21H17ClN2O3S2/c1-3-27-13-6-4-12(5-7-13)16-11-28-21(23-16)24-20(25)19-18(22)15-10-14(26-2)8-9-17(15)29-19/h4-11H,3H2,1-2H3,(H,23,24,25)