ethyl 4-[[3-cycloheptyl-4-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-ylidene]amino]benzoate

Systemtic Name: ethyl 4-[[3-cycloheptyl-4-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-ylidene]amino]benzoate Openeye Name: ethyl 4-[[3-cycloheptyl-4-(3-oxo-4H-1,4-benzoxazin-6-yl)thiazol-2-ylidene]amino]benzoate CAS Name: 4-[[3-cycloheptyl-4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-thiazolylidene]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-cycloheptyl-4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-ylidene]amino]benzoate Traditional Name: 4-[[3-cycloheptyl-4-(3-keto-4H-1,4-benzoxazin-6-yl)-4-thiazolin-2-ylidene]amino]benzoic acid ethyl ester Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC4=C(C=C3)OCC(=O)N4)C5CCCCCC5

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC4=C(C=C3)OCC(=O)N4)C5CCCCCC5

InChI

InChI=1S/C27H29N3O4S/c1-2-33-26(32)18-9-12-20(13-10-18)28-27-30(21-7-5-3-4-6-8-21)23(17-35-27)19-11-14-24-22(15-19)29-25(31)16-34-24/h9-15,17,21H,2-8,16H2,1H3,(H,29,31)