ethyl 4-[(1-methyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)carbonylamino]benzoate

Systemtic Name: ethyl 4-[(1-methyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)carbonylamino]benzoate Openeye Name: ethyl 4-[(1-methyl-4H-thiochromeno[4,3-c]pyrazole-3-carbonyl)amino]benzoate CAS Name: 4-[[(1-methyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(1-methyl-4H-thiochromeno[4,3-c]pyrazole-3-carbonyl)amino]benzoate Traditional Name: 4-[(1-methyl-4H-thiochromeno[4,3-c]pyrazole-3-carbonyl)amino]benzoic acid ethyl ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NN(C3=C2CSC4=CC=CC=C43)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NN(C3=C2CSC4=CC=CC=C43)C

InChI

InChI=1S/C21H19N3O3S/c1-3-27-21(26)13-8-10-14(11-9-13)22-20(25)18-16-12-28-17-7-5-4-6-15(17)19(16)24(2)23-18/h4-11H,3,12H2,1-2H3,(H,22,25)