(4-oxidanylidenepyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-thiophen-3-ylethanoate

Systemtic Name: (4-oxidanylidenepyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-thiophen-3-ylethanoate Openeye Name: (4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-(3-thienyl)acetate CAS Name: 2-(3-thiophenyl)acetic acid (4-oxo-2-pyrimido[2,1-b][1,3]benzothiazolyl)methyl ester IUPAC Name: (4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-thiophen-3-ylacetate Traditional Name: 2-(3-thienyl)acetic acid (4-ketopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl ester Formula: C17H12N2O3S2 MolecularWeight: 356.41878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N3C(=O)C=C(N=C3S2)COC(=O)CC4=CSC=C4

Isomeric SMILES

C1=CC=C2C(=C1)N3C(=O)C=C(N=C3S2)COC(=O)CC4=CSC=C4

InChI

InChI=1S/C17H12N2O3S2/c20-15-8-12(9-22-16(21)7-11-5-6-23-10-11)18-17-19(15)13-3-1-2-4-14(13)24-17/h1-6,8,10H,7,9H2