4-[(3-methyl-5-thiophen-3-yl-phenyl)methyl]-3-oxidanylidene-1,4-benzoxazine-6-carbaldehyde

Systemtic Name: 4-[(3-methyl-5-thiophen-3-yl-phenyl)methyl]-3-oxidanylidene-1,4-benzoxazine-6-carbaldehyde Openeye Name: 4-[[3-methyl-5-(3-thienyl)phenyl]methyl]-3-oxo-1,4-benzoxazine-6-carbaldehyde CAS Name: 4-[[3-methyl-5-(3-thiophenyl)phenyl]methyl]-3-oxo-1,4-benzoxazine-6-carboxaldehyde IUPAC Name: 4-[(3-methyl-5-thiophen-3-ylphenyl)methyl]-3-oxo-1,4-benzoxazine-6-carbaldehyde Traditional Name: 3-keto-4-[3-methyl-5-(3-thienyl)benzyl]-1,4-benzoxazine-6-carbaldehyde Formula: C21H17NO3S MolecularWeight: 363.42958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=CSC=C2)CN3C(=O)COC4=C3C=C(C=C4)C=O

Isomeric SMILES

CC1=CC(=CC(=C1)C2=CSC=C2)CN3C(=O)COC4=C3C=C(C=C4)C=O

InChI

InChI=1S/C21H17NO3S/c1-14-6-16(8-18(7-14)17-4-5-26-13-17)10-22-19-9-15(11-23)2-3-20(19)25-12-21(22)24/h2-9,11,13H,10,12H2,1H3