methyl 5-azanyl-4-(1,3-benzothiazol-2-yl)-2-methyl-1-(phenylcarbamoylamino)pyrrole-3-carboxylate

Systemtic Name: methyl 5-azanyl-4-(1,3-benzothiazol-2-yl)-2-methyl-1-(phenylcarbamoylamino)pyrrole-3-carboxylate Openeye Name: methyl 5-amino-4-(1,3-benzothiazol-2-yl)-2-methyl-1-(phenylcarbamoylamino)pyrrole-3-carboxylate CAS Name: 5-amino-1-[[anilino(oxo)methyl]amino]-4-(1,3-benzothiazol-2-yl)-2-methyl-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-4-(1,3-benzothiazol-2-yl)-2-methyl-1-(phenylcarbamoylamino)pyrrole-3-carboxylate Traditional Name: 5-amino-4-(1,3-benzothiazol-2-yl)-2-methyl-1-(phenylcarbamoylamino)pyrrole-3-carboxylic acid methyl ester Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1NC(=O)NC2=CC=CC=C2)N)C3=NC4=CC=CC=C4S3)C(=O)OC

Isomeric SMILES

CC1=C(C(=C(N1NC(=O)NC2=CC=CC=C2)N)C3=NC4=CC=CC=C4S3)C(=O)OC

InChI

InChI=1S/C21H19N5O3S/c1-12-16(20(27)29-2)17(19-24-14-10-6-7-11-15(14)30-19)18(22)26(12)25-21(28)23-13-8-4-3-5-9-13/h3-11H,22H2,1-2H3,(H2,23,25,28)