ethyl 4-[(7-methanoyl-4,4-dimethyl-3H-thiochromen-2-ylidene)amino]benzoate

Systemtic Name: ethyl 4-[(7-methanoyl-4,4-dimethyl-3H-thiochromen-2-ylidene)amino]benzoate Openeye Name: ethyl 4-[(7-formyl-4,4-dimethyl-thiochroman-2-ylidene)amino]benzoate CAS Name: 4-[(7-formyl-4,4-dimethyl-3H-1-benzothiopyran-2-ylidene)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(7-formyl-4,4-dimethyl-3H-thiochromen-2-ylidene)amino]benzoate Traditional Name: 4-[(7-formyl-4,4-dimethyl-thiochroman-2-ylidene)amino]benzoic acid ethyl ester Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N=C2CC(C3=C(S2)C=C(C=C3)C=O)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N=C2CC(C3=C(S2)C=C(C=C3)C=O)(C)C

InChI

InChI=1S/C21H21NO3S/c1-4-25-20(24)15-6-8-16(9-7-15)22-19-12-21(2,3)17-10-5-14(13-23)11-18(17)26-19/h5-11,13H,4,12H2,1-3H3