ethyl 2-[(5-oxidanylidene-2-phenyl-1,3-oxazol-4-ylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(5-oxidanylidene-2-phenyl-1,3-oxazol-4-ylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(5-oxo-2-phenyl-oxazol-4-ylidene)methylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(5-oxo-2-phenyl-4-oxazolylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(5-keto-2-phenyl-2-oxazolin-4-ylidene)methylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC=C3C(=O)OC(=N3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC=C3C(=O)OC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H20N2O4S/c1-2-26-21(25)17-14-10-6-7-11-16(14)28-19(17)22-12-15-20(24)27-18(23-15)13-8-4-3-5-9-13/h3-5,8-9,12,22H,2,6-7,10-11H2,1H3