ethyl 3-[2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]ethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]acetyl]amino]benzoate CAS Name: 3-[[2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]acetyl]amino]benzoate Traditional Name: 3-[[2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]acetyl]amino]benzoic acid ethyl ester Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CN(C)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CN(C)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)C

InChI

InChI=1S/C20H21N3O5S2/c1-4-28-20(25)14-6-5-7-15(10-14)22-19(24)12-23(3)30(26,27)16-8-9-17-18(11-16)29-13(2)21-17/h5-11H,4,12H2,1-3H3,(H,22,24)