N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enamide

Systemtic Name: N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enamide Openeye Name: N-[4-(3-bromophenyl)thiazol-2-yl]-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enamide CAS Name: N-[4-(3-bromophenyl)-2-thiazolyl]-3-(4-ethoxy-3-methoxyphenyl)-2-propenamide IUPAC Name: N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide Traditional Name: N-[4-(3-bromophenyl)thiazol-2-yl]-3-(4-ethoxy-3-methoxy-phenyl)acrylamide Formula: C21H19BrN2O3S MolecularWeight: 459.35616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=CC(=O)NC2=NC(=CS2)C3=CC(=CC=C3)Br)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C=CC(=O)NC2=NC(=CS2)C3=CC(=CC=C3)Br)OC

InChI

InChI=1S/C21H19BrN2O3S/c1-3-27-18-9-7-14(11-19(18)26-2)8-10-20(25)24-21-23-17(13-28-21)15-5-4-6-16(22)12-15/h4-13H,3H2,1-2H3,(H,23,24,25)