[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] (E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoate

Systemtic Name: [(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] (E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoate Openeye Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] (E)-3-(3-chlorobenzothiophen-2-yl)prop-2-enoate CAS Name: (E)-3-(3-chloro-1-benzothiophen-2-yl)-2-propenoic acid [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] ester IUPAC Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] (E)-3-(3-chloro-1-benzothiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(3-chlorobenzothiophen-2-yl)acrylic acid [(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl] ester Formula: C21H15ClN2O3S MolecularWeight: 410.8734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C=CC3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)OC(=O)/C=C/C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H15ClN2O3S/c1-12(20-23-15-8-4-2-6-13(15)21(26)24-20)27-18(25)11-10-17-19(22)14-7-3-5-9-16(14)28-17/h2-12H,1H3,(H,23,24,26)/b11-10+/t12-/m1/s1