[2-methoxy-4-[[4-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]phenyl] thiophene-2-carboxylate

Systemtic Name: [2-methoxy-4-[[4-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]phenyl] thiophene-2-carboxylate Openeye Name: [4-[[2-allylimino-4-(3-oxo-4H-1,4-benzoxazin-6-yl)thiazol-3-yl]iminomethyl]-2-methoxy-phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [2-methoxy-4-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-prop-2-enylimino-3-thiazolyl]iminomethyl]phenyl] ester IUPAC Name: [2-methoxy-4-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]phenyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [4-[[2-allylimino-4-(3-keto-4H-1,4-benzoxazin-6-yl)-4-thiazolin-3-yl]iminomethyl]-2-methoxy-phenyl] ester Formula: C27H22N4O5S2 MolecularWeight: 546.61738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NN2C(=CSC2=NCC=C)C3=CC4=C(C=C3)OCC(=O)N4)OC(=O)C5=CC=CS5

Isomeric SMILES

COC1=C(C=CC(=C1)C=NN2C(=CSC2=NCC=C)C3=CC4=C(C=C3)OCC(=O)N4)OC(=O)C5=CC=CS5

InChI

InChI=1S/C27H22N4O5S2/c1-3-10-28-27-31(20(16-38-27)18-7-9-21-19(13-18)30-25(32)15-35-21)29-14-17-6-8-22(23(12-17)34-2)36-26(33)24-5-4-11-37-24/h3-9,11-14,16H,1,10,15H2,2H3,(H,30,32)