methyl 3-[[3-(1,3-benzothiazol-2-yl)pyrazin-2-yl]carbonylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[[3-(1,3-benzothiazol-2-yl)pyrazin-2-yl]carbonylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[3-(1,3-benzothiazol-2-yl)pyrazine-2-carbonyl]amino]-4-methyl-benzoate CAS Name: 3-[[[3-(1,3-benzothiazol-2-yl)-2-pyrazinyl]-oxomethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[3-(1,3-benzothiazol-2-yl)pyrazine-2-carbonyl]amino]-4-methylbenzoate Traditional Name: 3-[[3-(1,3-benzothiazol-2-yl)pyrazinoyl]amino]-4-methyl-benzoic acid methyl ester Formula: C21H16N4O3S MolecularWeight: 404.44174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=NC=CN=C2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=NC=CN=C2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H16N4O3S/c1-12-7-8-13(21(27)28-2)11-15(12)24-19(26)17-18(23-10-9-22-17)20-25-14-5-3-4-6-16(14)29-20/h3-11H,1-2H3,(H,24,26)