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

Systemtic Name: methyl 4-[[6-[(4-ethoxycarbonylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamoyl]benzoate Openeye Name: methyl 4-[[6-[(4-ethoxycarbonylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamoyl]benzoate CAS Name: 4-[[[6-[(4-ethoxycarbonylanilino)-oxomethyl]-1,3-benzothiazol-2-yl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-[(4-ethoxycarbonylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamoyl]benzoate Traditional Name: 4-[[6-[(4-carbethoxyphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamoyl]benzoic acid methyl ester Formula: C26H21N3O6S MolecularWeight: 503.52644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21N3O6S/c1-3-35-25(33)17-8-11-19(12-9-17)27-23(31)18-10-13-20-21(14-18)36-26(28-20)29-22(30)15-4-6-16(7-5-15)24(32)34-2/h4-14H,3H2,1-2H3,(H,27,31)(H,28,29,30)