[1-(1,3-benzothiazol-2-yl)-2,3-diethyl-4-oxidanylidene-cyclobut-2-en-1-yl] ethanoate

Systemtic Name: [1-(1,3-benzothiazol-2-yl)-2,3-diethyl-4-oxidanylidene-cyclobut-2-en-1-yl] ethanoate Openeye Name: [1-(1,3-benzothiazol-2-yl)-2,3-diethyl-4-oxo-cyclobut-2-en-1-yl] acetate CAS Name: acetic acid [1-(1,3-benzothiazol-2-yl)-2,3-diethyl-4-oxo-1-cyclobut-2-enyl] ester IUPAC Name: [1-(1,3-benzothiazol-2-yl)-2,3-diethyl-4-oxocyclobut-2-en-1-yl] acetate Traditional Name: acetic acid [1-(1,3-benzothiazol-2-yl)-2,3-diethyl-4-keto-cyclobut-2-en-1-yl] ester Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(C1=O)(C2=NC3=CC=CC=C3S2)OC(=O)C)CC

Isomeric SMILES

CCC1=C(C(C1=O)(C2=NC3=CC=CC=C3S2)OC(=O)C)CC

InChI

InChI=1S/C17H17NO3S/c1-4-11-12(5-2)17(15(11)20,21-10(3)19)16-18-13-8-6-7-9-14(13)22-16/h6-9H,4-5H2,1-3H3