methyl 4-[[2-[(4-methoxycarbonylphenyl)carbonylamino]-1,3-benzothiazol-6-yl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[2-[(4-methoxycarbonylphenyl)carbonylamino]-1,3-benzothiazol-6-yl]carbamoyl]benzoate Openeye Name: methyl 4-[[2-[(4-methoxycarbonylbenzoyl)amino]-1,3-benzothiazol-6-yl]carbamoyl]benzoate CAS Name: 4-[[[2-[[(4-methoxycarbonylphenyl)-oxomethyl]amino]-1,3-benzothiazol-6-yl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(4-methoxycarbonylbenzoyl)amino]-1,3-benzothiazol-6-yl]carbamoyl]benzoate Traditional Name: 4-[[2-[(4-carbomethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid methyl ester Formula: C25H19N3O6S MolecularWeight: 489.49986

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C25H19N3O6S/c1-33-23(31)16-7-3-14(4-8-16)21(29)26-18-11-12-19-20(13-18)35-25(27-19)28-22(30)15-5-9-17(10-6-15)24(32)34-2/h3-13H,1-2H3,(H,26,29)(H,27,28,30)